Fluorine in PDB 3dn1: Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant

All present enzymatic activity of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant:
3.2.1.17;

The structure of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant, PDB code: 3dn1 was solved by L.Liu, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.864, 59.864, 95.501, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22

The structure of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Fluorine atom in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (pdb code 3dn1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 30 binding sites of Fluorine where determined in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant, PDB code: 3dn1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:14.8 occ:0.15 F6 A:BCF900 0.0 14.8 0.1 F4 A:BCF900 0.4 42.9 0.1 F3 A:BCF900 0.4 8.0 0.1 CL1 A:BCF900 0.5 40.6 0.1 F5 A:BCF900 0.6 57.5 0.1 F2 A:BCF900 0.6 50.6 0.1 C4 A:BCF900 1.2 42.9 0.1 C3 A:BCF900 1.3 8.0 0.1 C6 A:BCF900 1.3 14.8 0.1 C5 A:BCF900 1.3 57.5 0.1 C2 A:BCF900 1.6 50.6 0.1 C1 A:BCF900 1.6 40.6 0.1 C3 A:BCF900 2.1 42.8 0.1 C2 A:BCF900 2.1 7.9 0.1 C6 A:BCF900 2.3 57.5 0.1 C5 A:BCF900 2.3 42.9 0.1 C1 A:BCF900 2.4 14.7 0.1 C5 A:BCF900 2.4 14.7 0.1 C4 A:BCF900 2.4 57.4 0.1 F2 A:BCF900 2.4 7.9 0.1 C6 A:BCF900 2.4 40.6 0.1 F3 A:BCF900 2.5 42.8 0.1 C1 A:BCF900 2.5 50.6 0.1 C4 A:BCF900 2.5 8.0 0.1 C3 A:BCF900 2.6 50.6 0.1 F6 A:BCF900 2.6 40.6 0.1 F6 A:BCF900 2.7 57.5 0.1 C2 A:BCF900 2.7 40.6 0.1 F5 A:BCF900 2.8 14.7 0.1 F4 A:BCF900 2.8 57.5 0.1 F5 A:BCF900 2.8 42.9 0.1 CL1 A:BCF900 2.9 14.7 0.1 F3 A:BCF900 2.9 50.7 0.1 CL1 A:BCF900 3.0 50.6 0.1 F4 A:BCF900 3.0 8.1 0.1 F2 A:BCF900 3.1 40.6 0.1 CD1 A:LEU121 3.2 16.6 1.0 C2 A:BCF900 3.4 42.9 0.1 C1 A:BCF900 3.5 8.0 0.1 C1 A:BCF900 3.5 57.5 0.1 C6 A:BCF900 3.5 42.9 0.1 C3 A:BCF900 3.6 57.5 0.1 C2 A:BCF900 3.6 14.8 0.1 C4 A:BCF900 3.6 14.7 0.1 C5 A:BCF900 3.7 8.0 0.1 CZ A:PHE153 3.7 12.9 1.0 C5 A:BCF900 3.7 40.6 0.1 C6 A:BCF900 3.8 50.6 0.1 CD2 A:LEU118 3.8 18.1 1.0 C4 A:BCF900 3.8 50.6 0.1 SD A:MET102 3.9 14.6 1.0 C1 A:BCF900 3.9 42.9 0.1 C3 A:BCF900 3.9 40.6 0.1 C2 A:BCF900 4.0 57.5 0.1 C6 A:BCF900 4.1 8.0 0.1 CE2 A:PHE153 4.1 13.4 1.0 C3 A:BCF900 4.1 14.8 0.1 C5 A:BCF900 4.3 50.6 0.1 C4 A:BCF900 4.3 40.6 0.1 CD2 A:LEU133 4.4 11.7 1.0 CE1 A:PHE153 4.4 13.2 1.0 F2 A:BCF900 4.5 42.8 0.1 CG A:LEU118 4.6 16.6 1.0 CG A:LEU121 4.6 13.8 1.0 F6 A:BCF900 4.7 42.8 0.1 F3 A:BCF900 4.7 57.4 0.1 F2 A:BCF900 4.7 14.8 0.1 F4 A:BCF900 4.7 14.8 0.1 F5 A:BCF900 4.8 40.6 0.1 CE A:MET102 4.8 14.7 1.0 F6 A:BCF900 4.8 50.6 0.1 F5 A:BCF900 4.9 7.8 0.1 CL1 A:BCF900 4.9 7.8 0.1 F4 A:BCF900 4.9 50.6 0.1 CL1 A:BCF900 5.0 57.5 0.1

Fluorine binding site 2 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:57.5 occ:0.13 F6 A:BCF900 0.0 57.5 0.1 F3 A:BCF900 0.3 50.7 0.1 F5 A:BCF900 0.4 42.9 0.1 F4 A:BCF900 0.5 8.1 0.1 F2 A:BCF900 0.6 40.6 0.1 C4 A:BCF900 0.8 8.0 0.1 CL1 A:BCF900 0.9 14.7 0.1 C5 A:BCF900 1.0 42.9 0.1 C3 A:BCF900 1.1 50.6 0.1 C6 A:BCF900 1.3 57.5 0.1 C1 A:BCF900 1.4 14.7 0.1 C2 A:BCF900 1.4 40.6 0.1 C3 A:BCF900 1.9 8.0 0.1 C5 A:BCF900 2.0 8.0 0.1 C6 A:BCF900 2.0 42.9 0.1 C2 A:BCF900 2.0 50.6 0.1 C4 A:BCF900 2.1 42.9 0.1 C1 A:BCF900 2.1 40.6 0.1 C4 A:BCF900 2.2 50.6 0.1 C6 A:BCF900 2.3 14.8 0.1 C1 A:BCF900 2.4 57.5 0.1 C5 A:BCF900 2.4 57.5 0.1 C2 A:BCF900 2.4 14.8 0.1 F3 A:BCF900 2.4 8.0 0.1 F2 A:BCF900 2.4 50.6 0.1 CL1 A:BCF900 2.5 40.6 0.1 F6 A:BCF900 2.5 42.8 0.1 F4 A:BCF900 2.6 42.9 0.1 F5 A:BCF900 2.6 7.8 0.1 C3 A:BCF900 2.7 40.6 0.1 F6 A:BCF900 2.7 14.8 0.1 F5 A:BCF900 2.7 57.5 0.1 F4 A:BCF900 2.8 50.6 0.1 F2 A:BCF900 2.8 14.8 0.1 CL1 A:BCF900 3.0 57.5 0.1 C2 A:BCF900 3.1 7.9 0.1 SD A:MET102 3.1 14.6 1.0 F3 A:BCF900 3.2 40.6 0.1 C6 A:BCF900 3.2 8.0 0.1 C1 A:BCF900 3.3 42.9 0.1 C3 A:BCF900 3.3 42.8 0.1 C1 A:BCF900 3.3 50.6 0.1 C5 A:BCF900 3.4 50.6 0.1 C6 A:BCF900 3.4 40.6 0.1 CG2 A:VAL111 3.5 31.1 1.0 C5 A:BCF900 3.5 14.7 0.1 CE A:MET102 3.6 14.7 1.0 C3 A:BCF900 3.6 14.8 0.1 C1 A:BCF900 3.6 8.0 0.1 C2 A:BCF900 3.6 57.5 0.1 C4 A:BCF900 3.6 57.4 0.1 C2 A:BCF900 3.7 42.9 0.1 C4 A:BCF900 3.8 40.6 0.1 C6 A:BCF900 3.8 50.6 0.1 CB A:MET102 3.9 11.7 1.0 C4 A:BCF900 4.0 14.7 0.1 C5 A:BCF900 4.1 40.6 0.1 C3 A:BCF900 4.1 57.5 0.1 CG A:MET102 4.2 12.6 1.0 F2 A:BCF900 4.2 7.9 0.1 F6 A:BCF900 4.4 8.0 0.1 F3 A:BCF900 4.4 42.8 0.1 F6 A:BCF900 4.4 40.6 0.1 CD2 A:LEU118 4.6 18.1 1.0 F5 A:BCF900 4.6 50.6 0.1 F5 A:BCF900 4.6 14.7 0.1 F3 A:BCF900 4.7 14.7 0.1 F2 A:BCF900 4.7 57.5 0.1 F4 A:BCF900 4.7 57.5 0.1 CB A:VAL111 4.8 30.6 1.0 CL1 A:BCF900 4.8 42.8 0.1 CL1 A:BCF900 4.8 50.6 0.1 CB A:PHE114 4.8 21.0 1.0 CG A:PHE114 4.9 20.3 1.0 O A:ALA99 5.0 10.6 1.0 F4 A:BCF900 5.0 40.6 0.1

Fluorine binding site 3 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:42.8 occ:0.13 F6 A:BCF900 0.0 42.8 0.1 F5 A:BCF900 0.3 7.8 0.1 F4 A:BCF900 0.3 50.6 0.1 CL1 A:BCF900 0.5 57.5 0.1 F2 A:BCF900 0.6 14.8 0.1 F3 A:BCF900 0.8 40.6 0.1 C4 A:BCF900 1.1 50.6 0.1 C5 A:BCF900 1.1 8.0 0.1 C6 A:BCF900 1.3 42.9 0.1 C3 A:BCF900 1.5 40.6 0.1 C2 A:BCF900 1.6 14.8 0.1 C1 A:BCF900 1.7 57.5 0.1 C2 A:BCF900 2.0 40.6 0.1 F2 A:BCF900 2.1 40.6 0.1 C3 A:BCF900 2.1 50.6 0.1 C6 A:BCF900 2.1 8.0 0.1 C4 A:BCF900 2.2 8.0 0.1 C5 A:BCF900 2.2 50.6 0.1 C1 A:BCF900 2.4 14.7 0.1 C5 A:BCF900 2.4 42.9 0.1 C1 A:BCF900 2.4 42.9 0.1 C6 A:BCF900 2.4 57.5 0.1 F3 A:BCF900 2.5 50.7 0.1 F6 A:BCF900 2.5 57.5 0.1 F6 A:BCF900 2.6 8.0 0.1 C3 A:BCF900 2.7 14.8 0.1 F4 A:BCF900 2.7 8.1 0.1 F5 A:BCF900 2.7 50.6 0.1 F5 A:BCF900 2.7 42.9 0.1 C4 A:BCF900 2.8 40.6 0.1 CL1 A:BCF900 2.8 14.7 0.1 C2 A:BCF900 2.8 57.5 0.1 CL1 A:BCF900 3.0 42.8 0.1 F3 A:BCF900 3.1 14.7 0.1 F2 A:BCF900 3.2 57.5 0.1 C1 A:BCF900 3.3 40.6 0.1 C2 A:BCF900 3.4 50.6 0.1 F4 A:BCF900 3.4 40.6 0.1 CG2 A:VAL103 3.4 13.1 1.0 C1 A:BCF900 3.4 8.0 0.1 CG2 A:VAL111 3.4 31.1 1.0 C6 A:BCF900 3.4 50.6 0.1 C3 A:BCF900 3.4 8.0 0.1 C4 A:BCF900 3.6 42.9 0.1 C2 A:BCF900 3.6 42.9 0.1 C6 A:BCF900 3.7 14.8 0.1 CG1 A:VAL111 3.7 31.3 1.0 C5 A:BCF900 3.8 57.5 0.1 C5 A:BCF900 3.8 40.6 0.1 C1 A:BCF900 3.9 50.6 0.1 C4 A:BCF900 3.9 14.7 0.1 C2 A:BCF900 3.9 7.9 0.1 CD2 A:LEU84 4.0 20.7 1.0 CB A:VAL111 4.0 30.6 1.0 C3 A:BCF900 4.0 57.5 0.1 C6 A:BCF900 4.1 40.6 0.1 C3 A:BCF900 4.1 42.8 0.1 CD1 A:LEU84 4.2 20.0 1.0 O A:ALA99 4.2 10.6 1.0 C5 A:BCF900 4.2 14.7 0.1 C4 A:BCF900 4.4 57.4 0.1 F2 A:BCF900 4.5 50.6 0.1 CB A:MET102 4.5 11.7 1.0 F6 A:BCF900 4.6 50.6 0.1 F3 A:BCF900 4.6 8.0 0.1 N A:VAL103 4.6 12.3 1.0 CL1 A:BCF900 4.6 40.6 0.1 CG A:LEU84 4.7 19.4 1.0 F6 A:BCF900 4.7 14.8 0.1 CB A:VAL103 4.7 12.6 1.0 F4 A:BCF900 4.7 42.9 0.1 F2 A:BCF900 4.7 42.8 0.1 F5 A:BCF900 4.8 57.5 0.1 CL1 A:BCF900 4.9 7.8 0.1 CA A:VAL103 4.9 12.8 1.0 F4 A:BCF900 5.0 14.8 0.1

Fluorine binding site 4 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:8.0 occ:0.13 F6 A:BCF900 0.0 8.0 0.1 F5 A:BCF900 0.3 50.6 0.1 CL1 A:BCF900 0.4 42.8 0.1 F3 A:BCF900 0.6 14.7 0.1 F4 A:BCF900 0.9 40.6 0.1 F2 A:BCF900 0.9 57.5 0.1 C5 A:BCF900 1.1 50.6 0.1 C4 A:BCF900 1.2 40.6 0.1 C6 A:BCF900 1.3 8.0 0.1 C3 A:BCF900 1.4 14.8 0.1 C1 A:BCF900 1.5 42.9 0.1 C2 A:BCF900 1.5 57.5 0.1 C3 A:BCF900 1.7 40.6 0.1 F3 A:BCF900 1.9 40.6 0.1 C2 A:BCF900 2.1 14.8 0.1 C1 A:BCF900 2.1 57.5 0.1 C6 A:BCF900 2.1 50.6 0.1 C4 A:BCF900 2.2 50.6 0.1 F2 A:BCF900 2.2 14.8 0.1 CL1 A:BCF900 2.3 57.5 0.1 C6 A:BCF900 2.3 42.9 0.1 C5 A:BCF900 2.4 8.0 0.1 C1 A:BCF900 2.4 8.0 0.1 C5 A:BCF900 2.5 40.6 0.1 F6 A:BCF900 2.6 42.8 0.1 C2 A:BCF900 2.6 42.9 0.1 F6 A:BCF900 2.6 50.6 0.1 C4 A:BCF900 2.6 14.7 0.1 F4 A:BCF900 2.6 50.6 0.1 F5 A:BCF900 2.7 7.8 0.1 C3 A:BCF900 2.8 57.5 0.1 CL1 A:BCF900 3.0 7.8 0.1 F2 A:BCF900 3.0 42.8 0.1 C2 A:BCF900 3.1 40.6 0.1 F4 A:BCF900 3.2 14.8 0.1 F5 A:BCF900 3.2 40.6 0.1 C1 A:BCF900 3.4 50.6 0.1 C3 A:BCF900 3.4 50.6 0.1 C1 A:BCF900 3.4 14.7 0.1 F3 A:BCF900 3.4 57.4 0.1 C6 A:BCF900 3.4 57.5 0.1 C6 A:BCF900 3.6 40.6 0.1 CD1 A:LEU84 3.6 20.0 1.0 CD2 A:LEU84 3.6 20.7 1.0 C4 A:BCF900 3.6 8.0 0.1 C2 A:BCF900 3.6 7.9 0.1 C5 A:BCF900 3.6 42.9 0.1 CB A:LEU84 3.7 18.8 1.0 CG1 A:ILE78 3.8 16.9 1.0 C5 A:BCF900 3.8 14.7 0.1 CG2 A:VAL103 3.8 13.1 1.0 C1 A:BCF900 3.8 40.6 0.1 CG A:LEU84 3.8 19.4 1.0 C3 A:BCF900 3.8 42.8 0.1 C2 A:BCF900 3.9 50.6 0.1 C4 A:BCF900 3.9 57.4 0.1 CD1 A:ILE78 4.0 16.8 1.0 C6 A:BCF900 4.1 14.8 0.1 F2 A:BCF900 4.1 40.6 0.1 CG2 A:ILE78 4.1 16.1 1.0 C3 A:BCF900 4.1 8.0 0.1 C5 A:BCF900 4.1 57.5 0.1 C4 A:BCF900 4.2 42.9 0.1 CB A:ALA99 4.3 11.0 1.0 F6 A:BCF900 4.4 57.5 0.1 O A:ALA99 4.4 10.6 1.0 F3 A:BCF900 4.5 50.7 0.1 CB A:ILE78 4.6 16.8 1.0 CA A:LEU84 4.6 18.5 1.0 F5 A:BCF900 4.7 42.9 0.1 F4 A:BCF900 4.7 8.1 0.1 F2 A:BCF900 4.7 7.9 0.1 O A:LEU84 4.8 16.8 1.0 CL1 A:BCF900 4.8 14.7 0.1 C A:ALA99 4.8 10.5 1.0 CA A:ALA99 4.8 10.7 1.0 F6 A:BCF900 4.8 40.6 0.1 CL1 A:BCF900 4.9 50.6 0.1 CD2 A:LEU118 4.9 18.1 1.0 F5 A:BCF900 5.0 14.7 0.1 F3 A:BCF900 5.0 42.8 0.1

Fluorine binding site 5 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:50.6 occ:0.13 F6 A:BCF900 0.0 50.6 0.1 CL1 A:BCF900 0.4 7.8 0.1 F2 A:BCF900 0.6 42.8 0.1 F5 A:BCF900 0.6 40.6 0.1 F4 A:BCF900 0.7 14.8 0.1 F3 A:BCF900 0.8 57.4 0.1 C5 A:BCF900 1.1 40.6 0.1 C4 A:BCF900 1.2 14.7 0.1 C3 A:BCF900 1.3 57.5 0.1 C6 A:BCF900 1.3 50.6 0.1 C2 A:BCF900 1.5 42.9 0.1 C1 A:BCF900 1.6 8.0 0.1 C2 A:BCF900 1.8 57.5 0.1 C4 A:BCF900 1.8 40.6 0.1 C3 A:BCF900 1.9 14.8 0.1 F2 A:BCF900 1.9 57.5 0.1 F4 A:BCF900 2.1 40.6 0.1 F3 A:BCF900 2.1 14.7 0.1 C1 A:BCF900 2.2 42.9 0.1 C5 A:BCF900 2.4 50.6 0.1 C1 A:BCF900 2.4 50.6 0.1 C6 A:BCF900 2.4 8.0 0.1 C6 A:BCF900 2.4 40.6 0.1 CL1 A:BCF900 2.5 42.8 0.1 C5 A:BCF900 2.5 14.7 0.1 C4 A:BCF900 2.6 57.4 0.1 F6 A:BCF900 2.6 8.0 0.1 C2 A:BCF900 2.7 7.9 0.1 F5 A:BCF900 2.7 50.6 0.1 C3 A:BCF900 2.8 42.8 0.1 CL1 A:BCF900 3.0 50.6 0.1 F6 A:BCF900 3.1 40.6 0.1 F2 A:BCF900 3.1 7.9 0.1 C1 A:BCF900 3.1 57.5 0.1 F5 A:BCF900 3.1 14.7 0.1 C3 A:BCF900 3.2 40.6 0.1 C2 A:BCF900 3.2 14.8 0.1 F3 A:BCF900 3.3 42.8 0.1 F4 A:BCF900 3.3 57.5 0.1 CB A:ALA99 3.5 11.0 1.0 C1 A:BCF900 3.5 40.6 0.1 C6 A:BCF900 3.6 42.9 0.1 C4 A:BCF900 3.6 50.6 0.1 C2 A:BCF900 3.6 50.6 0.1 C6 A:BCF900 3.6 14.8 0.1 C5 A:BCF900 3.7 57.5 0.1 N A:TYR88 3.7 14.4 1.0 C5 A:BCF900 3.8 8.0 0.1 C2 A:BCF900 3.8 40.6 0.1 CB A:TYR88 3.8 14.7 1.0 CA A:TYR88 3.9 14.4 1.0 C6 A:BCF900 3.9 57.5 0.1 O A:LEU84 3.9 16.8 1.0 C1 A:BCF900 3.9 14.7 0.1 C4 A:BCF900 3.9 42.9 0.1 C3 A:BCF900 3.9 8.0 0.1 C3 A:BCF900 4.1 50.6 0.1 F3 A:BCF900 4.2 40.6 0.1 C5 A:BCF900 4.2 42.9 0.1 F2 A:BCF900 4.3 14.8 0.1 CB A:VAL87 4.3 15.4 1.0 CD1 A:TYR88 4.3 15.5 1.0 C4 A:BCF900 4.3 8.0 0.1 CG1 A:VAL87 4.4 15.2 1.0 C A:VAL87 4.4 14.9 1.0 CD2 A:LEU118 4.4 18.1 1.0 CL1 A:BCF900 4.5 57.5 0.1 CD1 A:LEU91 4.5 12.9 1.0 F6 A:BCF900 4.6 42.8 0.1 CG A:TYR88 4.6 14.6 1.0 CG2 A:ILE78 4.6 16.1 1.0 CA A:ALA99 4.6 10.7 1.0 F4 A:BCF900 4.7 50.6 0.1 F2 A:BCF900 4.7 50.6 0.1 C A:LEU84 4.7 17.6 1.0 CB A:LEU84 4.8 18.8 1.0 F5 A:BCF900 4.8 7.8 0.1 F6 A:BCF900 4.8 14.8 0.1 F5 A:BCF900 4.9 57.5 0.1 CA A:LEU84 4.9 18.5 1.0 CA A:VAL87 4.9 14.9 1.0 O A:VAL87 5.0 14.0 1.0 CD2 A:LEU84 5.0 20.7 1.0

Fluorine binding site 6 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:40.6 occ:0.11 F6 A:BCF900 0.0 40.6 0.1 F5 A:BCF900 0.2 14.7 0.1 F3 A:BCF900 0.2 42.8 0.1 F4 A:BCF900 0.3 57.5 0.1 F2 A:BCF900 0.4 7.9 0.1 CL1 A:BCF900 0.4 50.6 0.1 C4 A:BCF900 1.0 57.4 0.1 C5 A:BCF900 1.2 14.7 0.1 C3 A:BCF900 1.3 42.8 0.1 C6 A:BCF900 1.3 40.6 0.1 C2 A:BCF900 1.5 7.9 0.1 C1 A:BCF900 1.6 50.6 0.1 C5 A:BCF900 2.1 57.5 0.1 C3 A:BCF900 2.1 57.5 0.1 C6 A:BCF900 2.2 14.8 0.1 C2 A:BCF900 2.2 42.9 0.1 C4 A:BCF900 2.2 14.7 0.1 C5 A:BCF900 2.4 40.6 0.1 C1 A:BCF900 2.4 40.6 0.1 C4 A:BCF900 2.4 42.9 0.1 C2 A:BCF900 2.4 50.6 0.1 C1 A:BCF900 2.5 8.0 0.1 F2 A:BCF900 2.5 42.8 0.1 F5 A:BCF900 2.6 57.5 0.1 C3 A:BCF900 2.6 8.0 0.1 F2 A:BCF900 2.6 50.6 0.1 F3 A:BCF900 2.6 57.4 0.1 F6 A:BCF900 2.6 14.8 0.1 C6 A:BCF900 2.7 50.6 0.1 F4 A:BCF900 2.7 14.8 0.1 F5 A:BCF900 2.7 40.6 0.1 F4 A:BCF900 2.9 42.9 0.1 CL1 A:BCF900 2.9 7.8 0.1 F3 A:BCF900 2.9 8.0 0.1 CL1 A:BCF900 3.0 40.6 0.1 F6 A:BCF900 3.1 50.6 0.1 C6 A:BCF900 3.3 57.5 0.1 C2 A:BCF900 3.3 57.5 0.1 CD1 A:LEU121 3.4 16.6 1.0 C1 A:BCF900 3.4 14.7 0.1 C3 A:BCF900 3.5 14.8 0.1 C1 A:BCF900 3.5 42.9 0.1 CE1 A:PHE153 3.6 13.2 1.0 C2 A:BCF900 3.6 40.6 0.1 C5 A:BCF900 3.6 42.9 0.1 C4 A:BCF900 3.6 40.6 0.1 CZ A:PHE153 3.7 12.9 1.0 C3 A:BCF900 3.7 50.6 0.1 C6 A:BCF900 3.8 8.0 0.1 CG1 A:VAL87 3.8 15.2 1.0 C1 A:BCF900 3.8 57.5 0.1 C4 A:BCF900 3.8 8.0 0.1 CD1 A:LEU91 3.9 12.9 1.0 C5 A:BCF900 3.9 50.6 0.1 C2 A:BCF900 3.9 14.8 0.1 CD2 A:LEU118 4.0 18.1 1.0 C6 A:BCF900 4.1 42.9 0.1 C3 A:BCF900 4.1 40.6 0.1 CB A:ALA99 4.1 11.0 1.0 C5 A:BCF900 4.3 8.0 0.1 C4 A:BCF900 4.3 50.6 0.1 F6 A:BCF900 4.4 57.5 0.1 F2 A:BCF900 4.5 57.5 0.1 CG A:LEU121 4.5 13.8 1.0 CB A:LEU121 4.5 14.2 1.0 F3 A:BCF900 4.6 14.7 0.1 CD1 A:PHE153 4.7 12.5 1.0 CB A:VAL87 4.7 15.4 1.0 CA A:ALA99 4.7 10.7 1.0 F2 A:BCF900 4.7 40.6 0.1 F4 A:BCF900 4.7 40.6 0.1 F5 A:BCF900 4.8 42.9 0.1 F3 A:BCF900 4.8 50.7 0.1 CE2 A:PHE153 4.8 13.4 1.0 F6 A:BCF900 4.8 8.0 0.1 CL1 A:BCF900 4.9 14.7 0.1 CG A:LEU91 4.9 12.2 1.0 F4 A:BCF900 4.9 8.1 0.1 CL1 A:BCF900 5.0 42.8 0.1

Fluorine binding site 7 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:14.7 occ:0.15 F5 A:BCF900 0.0 14.7 0.1 F4 A:BCF900 0.2 57.5 0.1 F6 A:BCF900 0.2 40.6 0.1 F3 A:BCF900 0.3 42.8 0.1 CL1 A:BCF900 0.3 50.6 0.1 F2 A:BCF900 0.5 7.9 0.1 C4 A:BCF900 1.2 57.4 0.1 C5 A:BCF900 1.3 14.7 0.1 C3 A:BCF900 1.5 42.8 0.1 C6 A:BCF900 1.5 40.6 0.1 C2 A:BCF900 1.7 7.9 0.1 C1 A:BCF900 1.7 50.6 0.1 C3 A:BCF900 2.2 57.5 0.1 C5 A:BCF900 2.3 57.5 0.1 C2 A:BCF900 2.4 42.9 0.1 C4 A:BCF900 2.4 14.7 0.1 C6 A:BCF900 2.4 14.8 0.1 C5 A:BCF900 2.5 40.6 0.1 C1 A:BCF900 2.6 40.6 0.1 F2 A:BCF900 2.6 42.8 0.1 C4 A:BCF900 2.6 42.9 0.1 C2 A:BCF900 2.6 50.6 0.1 C1 A:BCF900 2.6 8.0 0.1 F3 A:BCF900 2.6 57.4 0.1 F5 A:BCF900 2.7 57.5 0.1 F4 A:BCF900 2.7 14.8 0.1 F5 A:BCF900 2.8 40.6 0.1 F2 A:BCF900 2.8 50.6 0.1 F6 A:BCF900 2.8 14.8 0.1 C3 A:BCF900 2.8 8.0 0.1 C6 A:BCF900 2.8 50.6 0.1 CL1 A:BCF900 3.0 7.8 0.1 F4 A:BCF900 3.0 42.9 0.1 F3 A:BCF900 3.1 8.0 0.1 F6 A:BCF900 3.1 50.6 0.1 CL1 A:BCF900 3.1 40.6 0.1 CD1 A:LEU121 3.3 16.6 1.0 C2 A:BCF900 3.5 57.5 0.1 C6 A:BCF900 3.5 57.5 0.1 CE1 A:PHE153 3.6 13.2 1.0 C3 A:BCF900 3.6 14.8 0.1 C1 A:BCF900 3.6 14.7 0.1 C1 A:BCF900 3.7 42.9 0.1 CG1 A:VAL87 3.7 15.2 1.0 CZ A:PHE153 3.7 12.9 1.0 CD1 A:LEU91 3.7 12.9 1.0 C4 A:BCF900 3.8 40.6 0.1 C2 A:BCF900 3.8 40.6 0.1 C5 A:BCF900 3.8 42.9 0.1 C6 A:BCF900 3.9 8.0 0.1 C3 A:BCF900 3.9 50.6 0.1 C1 A:BCF900 4.0 57.5 0.1 C4 A:BCF900 4.0 8.0 0.1 CD2 A:LEU118 4.1 18.1 1.0 C5 A:BCF900 4.1 50.6 0.1 C2 A:BCF900 4.1 14.8 0.1 CB A:ALA99 4.2 11.0 1.0 C6 A:BCF900 4.2 42.9 0.1 C3 A:BCF900 4.3 40.6 0.1 CB A:LEU121 4.4 14.2 1.0 CG A:LEU121 4.4 13.8 1.0 C5 A:BCF900 4.5 8.0 0.1 C4 A:BCF900 4.5 50.6 0.1 F2 A:BCF900 4.6 57.5 0.1 CD1 A:PHE153 4.6 12.5 1.0 F6 A:BCF900 4.6 57.5 0.1 CB A:VAL87 4.6 15.4 1.0 F3 A:BCF900 4.7 14.7 0.1 CG A:LEU91 4.8 12.2 1.0 CA A:ALA99 4.8 10.7 1.0 CE2 A:PHE153 4.8 13.4 1.0 F4 A:BCF900 4.8 40.6 0.1 F2 A:BCF900 4.9 40.6 0.1 F5 A:BCF900 4.9 42.9 0.1 F3 A:BCF900 5.0 50.7 0.1 F6 A:BCF900 5.0 8.0 0.1

Fluorine binding site 8 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:57.5 occ:0.13 F5 A:BCF900 0.0 57.5 0.1 F2 A:BCF900 0.3 50.6 0.1 F4 A:BCF900 0.5 42.9 0.1 CL1 A:BCF900 0.5 40.6 0.1 F3 A:BCF900 0.6 8.0 0.1 F6 A:BCF900 0.6 14.8 0.1 C4 A:BCF900 1.3 42.9 0.1 C5 A:BCF900 1.3 57.5 0.1 C3 A:BCF900 1.4 8.0 0.1 C6 A:BCF900 1.5 14.8 0.1 C2 A:BCF900 1.6 50.6 0.1 C1 A:BCF900 1.7 40.6 0.1 C3 A:BCF900 2.1 42.8 0.1 C2 A:BCF900 2.2 7.9 0.1 C6 A:BCF900 2.4 57.5 0.1 C4 A:BCF900 2.4 57.4 0.1 C5 A:BCF900 2.4 14.7 0.1 C5 A:BCF900 2.4 42.9 0.1 F2 A:BCF900 2.4 7.9 0.1 C6 A:BCF900 2.5 40.6 0.1 F3 A:BCF900 2.5 42.8 0.1 C1 A:BCF900 2.5 50.6 0.1 C1 A:BCF900 2.5 14.7 0.1 F6 A:BCF900 2.6 40.6 0.1 C4 A:BCF900 2.6 8.0 0.1 C3 A:BCF900 2.7 50.6 0.1 F5 A:BCF900 2.7 14.7 0.1 F6 A:BCF900 2.7 57.5 0.1 F4 A:BCF900 2.8 57.5 0.1 C2 A:BCF900 2.8 40.6 0.1 F5 A:BCF900 2.9 42.9 0.1 CL1 A:BCF900 2.9 50.6 0.1 F3 A:BCF900 3.0 50.7 0.1 F4 A:BCF900 3.1 8.1 0.1 CL1 A:BCF900 3.1 14.7 0.1 CZ A:PHE153 3.2 12.9 1.0 F2 A:BCF900 3.2 40.6 0.1 CD1 A:LEU121 3.2 16.6 1.0 C2 A:BCF900 3.4 42.9 0.1 C1 A:BCF900 3.5 8.0 0.1 CE2 A:PHE153 3.5 13.4 1.0 SD A:MET102 3.6 14.6 1.0 C6 A:BCF900 3.6 42.9 0.1 C1 A:BCF900 3.6 57.5 0.1 C3 A:BCF900 3.6 57.5 0.1 C4 A:BCF900 3.7 14.7 0.1 C2 A:BCF900 3.8 14.8 0.1 C5 A:BCF900 3.8 8.0 0.1 C5 A:BCF900 3.8 40.6 0.1 C6 A:BCF900 3.8 50.6 0.1 CE1 A:PHE153 3.9 13.2 1.0 C4 A:BCF900 3.9 50.6 0.1 C1 A:BCF900 4.0 42.9 0.1 C3 A:BCF900 4.0 40.6 0.1 C2 A:BCF900 4.1 57.5 0.1 C6 A:BCF900 4.1 8.0 0.1 C3 A:BCF900 4.2 14.8 0.1 CD2 A:LEU133 4.4 11.7 1.0 CD2 A:LEU118 4.4 18.1 1.0 C5 A:BCF900 4.4 50.6 0.1 C4 A:BCF900 4.4 40.6 0.1 CD2 A:PHE153 4.5 12.5 1.0 F2 A:BCF900 4.5 42.8 0.1 CE A:MET102 4.6 14.7 1.0 CG A:LEU121 4.7 13.8 1.0 F4 A:BCF900 4.7 14.8 0.1 F3 A:BCF900 4.7 57.4 0.1 F6 A:BCF900 4.8 42.8 0.1 CD1 A:PHE153 4.8 12.5 1.0 F5 A:BCF900 4.8 40.6 0.1 F2 A:BCF900 4.9 14.8 0.1 F6 A:BCF900 4.9 50.6 0.1 CL1 A:BCF900 4.9 7.8 0.1 F5 A:BCF900 4.9 7.8 0.1 CA A:ALA99 5.0 10.7 1.0 CG A:MET102 5.0 12.6 1.0

Fluorine binding site 9 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:42.9 occ:0.13 F5 A:BCF900 0.0 42.9 0.1 F4 A:BCF900 0.2 8.1 0.1 F3 A:BCF900 0.3 50.7 0.1 F6 A:BCF900 0.4 57.5 0.1 CL1 A:BCF900 0.6 14.7 0.1 F2 A:BCF900 0.7 40.6 0.1 C4 A:BCF900 1.2 8.0 0.1 C5 A:BCF900 1.3 42.9 0.1 C3 A:BCF900 1.5 50.6 0.1 C1 A:BCF900 1.7 14.7 0.1 C6 A:BCF900 1.7 57.5 0.1 C2 A:BCF900 1.8 40.6 0.1 C3 A:BCF900 2.2 8.0 0.1 C5 A:BCF900 2.3 8.0 0.1 C4 A:BCF900 2.4 42.9 0.1 C6 A:BCF900 2.4 42.9 0.1 C2 A:BCF900 2.4 50.6 0.1 C1 A:BCF900 2.4 40.6 0.1 F3 A:BCF900 2.5 8.0 0.1 C4 A:BCF900 2.5 50.6 0.1 CL1 A:BCF900 2.6 40.6 0.1 C6 A:BCF900 2.6 14.8 0.1 F2 A:BCF900 2.7 50.6 0.1 C5 A:BCF900 2.7 57.5 0.1 C1 A:BCF900 2.7 57.5 0.1 C2 A:BCF900 2.7 14.8 0.1 F4 A:BCF900 2.7 42.9 0.1 F6 A:BCF900 2.7 42.8 0.1 F5 A:BCF900 2.8 7.8 0.1 F6 A:BCF900 2.8 14.8 0.1 F5 A:BCF900 2.9 57.5 0.1 F4 A:BCF900 2.9 50.6 0.1 C3 A:BCF900 3.0 40.6 0.1 F2 A:BCF900 3.0 14.8 0.1 SD A:MET102 3.0 14.6 1.0 CL1 A:BCF900 3.1 57.5 0.1 CG2 A:VAL111 3.2 31.1 1.0 CE A:MET102 3.3 14.7 1.0 F3 A:BCF900 3.4 40.6 0.1 C2 A:BCF900 3.5 7.9 0.1 C6 A:BCF900 3.6 8.0 0.1 C1 A:BCF900 3.6 42.9 0.1 C3 A:BCF900 3.6 42.8 0.1 C1 A:BCF900 3.7 50.6 0.1 C5 A:BCF900 3.8 50.6 0.1 C6 A:BCF900 3.8 40.6 0.1 CB A:MET102 3.9 11.7 1.0 C5 A:BCF900 3.9 14.7 0.1 C3 A:BCF900 4.0 14.8 0.1 C4 A:BCF900 4.0 57.4 0.1 C1 A:BCF900 4.0 8.0 0.1 C2 A:BCF900 4.0 57.5 0.1 C2 A:BCF900 4.1 42.9 0.1 CG A:MET102 4.1 12.6 1.0 C4 A:BCF900 4.2 40.6 0.1 C6 A:BCF900 4.2 50.6 0.1 C4 A:BCF900 4.4 14.7 0.1 C5 A:BCF900 4.5 40.6 0.1 CB A:PHE114 4.5 21.0 1.0 C3 A:BCF900 4.5 57.5 0.1 F2 A:BCF900 4.5 7.9 0.1 CG A:PHE114 4.6 20.3 1.0 CB A:VAL111 4.6 30.6 1.0 F6 A:BCF900 4.7 8.0 0.1 CD2 A:LEU118 4.7 18.1 1.0 F3 A:BCF900 4.7 42.8 0.1 F6 A:BCF900 4.8 40.6 0.1 F5 A:BCF900 4.9 50.6 0.1 CD1 A:PHE114 4.9 20.7 1.0 CD2 A:PHE114 4.9 18.6 1.0 F5 A:BCF900 4.9 14.7 0.1 CG1 A:VAL111 5.0 31.3 1.0

Fluorine binding site 10 out of 30 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:7.8 occ:0.13 F5 A:BCF900 0.0 7.8 0.1 F6 A:BCF900 0.3 42.8 0.1 F4 A:BCF900 0.3 50.6 0.1 CL1 A:BCF900 0.6 57.5 0.1 F2 A:BCF900 0.8 14.8 0.1 F3 A:BCF900 1.0 40.6 0.1 C4 A:BCF900 1.3 50.6 0.1 C5 A:BCF900 1.3 8.0 0.1 C6 A:BCF900 1.6 42.9 0.1 C3 A:BCF900 1.7 40.6 0.1 C2 A:BCF900 1.8 14.8 0.1 C1 A:BCF900 1.9 57.5 0.1 F2 A:BCF900 2.1 40.6 0.1 C2 A:BCF900 2.2 40.6 0.1 C3 A:BCF900 2.3 50.6 0.1 C4 A:BCF900 2.4 8.0 0.1 C6 A:BCF900 2.4 8.0 0.1 C5 A:BCF900 2.4 50.6 0.1 C5 A:BCF900 2.5 42.9 0.1 C1 A:BCF900 2.6 14.7 0.1 F3 A:BCF900 2.6 50.7 0.1 C1 A:BCF900 2.6 42.9 0.1 C6 A:BCF900 2.6 57.5 0.1 F6 A:BCF900 2.6 57.5 0.1 F4 A:BCF900 2.7 8.1 0.1 F6 A:BCF900 2.7 8.0 0.1 F5 A:BCF900 2.8 42.9 0.1 F5 A:BCF900 2.9 50.6 0.1 CL1 A:BCF900 2.9 14.7 0.1 C3 A:BCF900 2.9 14.8 0.1 C4 A:BCF900 3.0 40.6 0.1 C2 A:BCF900 3.1 57.5 0.1 CL1 A:BCF900 3.2 42.8 0.1 CG2 A:VAL103 3.2 13.1 1.0 CG2 A:VAL111 3.3 31.1 1.0 F3 A:BCF900 3.3 14.7 0.1 F2 A:BCF900 3.4 57.5 0.1 C2 A:BCF900 3.5 50.6 0.1 C1 A:BCF900 3.6 40.6 0.1 F4 A:BCF900 3.6 40.6 0.1 CG1 A:VAL111 3.6 31.3 1.0 C3 A:BCF900 3.6 8.0 0.1 C1 A:BCF900 3.6 8.0 0.1 C6 A:BCF900 3.7 50.6 0.1 C4 A:BCF900 3.8 42.9 0.1 CB A:VAL111 3.9 30.6 1.0 C6 A:BCF900 3.9 14.8 0.1 C2 A:BCF900 3.9 42.9 0.1 C5 A:BCF900 4.0 57.5 0.1 C1 A:BCF900 4.1 50.6 0.1 C5 A:BCF900 4.1 40.6 0.1 C4 A:BCF900 4.1 14.7 0.1 CD2 A:LEU84 4.1 20.7 1.0 C2 A:BCF900 4.1 7.9 0.1 O A:ALA99 4.2 10.6 1.0 CD1 A:LEU84 4.2 20.0 1.0 C3 A:BCF900 4.3 57.5 0.1 C6 A:BCF900 4.3 40.6 0.1 C3 A:BCF900 4.4 42.8 0.1 CB A:MET102 4.4 11.7 1.0 N A:VAL103 4.4 12.3 1.0 C5 A:BCF900 4.5 14.7 0.1 CB A:VAL103 4.5 12.6 1.0 F2 A:BCF900 4.6 50.6 0.1 C4 A:BCF900 4.6 57.4 0.1 CA A:VAL103 4.7 12.8 1.0 F3 A:BCF900 4.7 8.0 0.1 CG A:LEU84 4.8 19.4 1.0 F6 A:BCF900 4.8 50.6 0.1 CL1 A:BCF900 4.8 40.6 0.1 F6 A:BCF900 4.9 14.8 0.1 F4 A:BCF900 4.9 42.9 0.1 F5 A:BCF900 4.9 57.5 0.1 C A:MET102 5.0 11.8 1.0 F2 A:BCF900 5.0 42.8 0.1

L.Liu, W.A.Baase, B.W.Matthews. Halogenated Benzenes Bound Within A Non-Polar Cavity in T4 Lysozyme Provide Examples of I...S and I...Se Halogen-Bonding. J.Mol.Biol. V. 385 595 2009.
ISSN: ISSN 0022-2836
PubMed: 19014950
DOI: 10.1016/J.JMB.2008.10.086