Fluorine in PDB 4nxy: Crystal Structure of the Gnat Domain of S. Lividans Pat

The structure of Crystal Structure of the Gnat Domain of S. Lividans Pat, PDB code: 4nxy was solved by K.C.Rank, A.C.Tucker, J.C.Escalante-Semerena, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.52 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.056, 56.711, 74.000, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.7

The binding sites of Fluorine atom in the Crystal Structure of the Gnat Domain of S. Lividans Pat (pdb code 4nxy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Gnat Domain of S. Lividans Pat, PDB code: 4nxy:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Gnat Domain of S. Lividans Pat


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Gnat Domain of S. Lividans Pat within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:16.0 occ:1.00 F1 A:ETF201 0.0 16.0 1.0 C1 A:ETF201 1.3 14.3 1.0 F2 A:ETF201 2.1 15.3 1.0 F3 A:ETF201 2.2 16.3 1.0 C2 A:ETF201 2.3 8.3 1.0 O A:ETF201 2.8 11.3 1.0 CE2 A:PHE52 3.4 9.8 1.0 CD2 A:LEU127 3.6 9.5 1.0 OG1 A:THR102 3.6 11.5 1.0 CD1 A:LEU49 4.0 10.4 1.0 CZ A:PHE52 4.2 7.9 1.0 CD1 A:TYR53 4.2 13.6 1.0 CD2 A:PHE52 4.3 9.1 1.0 CG2 A:THR102 4.3 8.8 1.0 CE1 A:TYR53 4.4 11.4 1.0 CB A:LEU127 4.5 8.3 1.0 CG A:LEU127 4.6 9.0 1.0 CB A:THR102 4.6 8.7 1.0 CG A:LEU49 4.8 9.0 1.0 O A:HOH301 4.8 2.0 1.0 CD1 A:LEU72 4.9 13.8 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Gnat Domain of S. Lividans Pat


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Gnat Domain of S. Lividans Pat within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:15.3 occ:1.00 F2 A:ETF201 0.0 15.3 1.0 C1 A:ETF201 1.3 14.3 1.0 F1 A:ETF201 2.1 16.0 1.0 F3 A:ETF201 2.2 16.3 1.0 C2 A:ETF201 2.3 8.3 1.0 CZ A:PHE65 3.4 15.7 1.0 O A:ETF201 3.6 11.3 1.0 CE2 A:PHE65 3.8 12.4 1.0 CE1 A:TYR53 3.8 11.4 1.0 CE2 A:PHE80 3.9 9.6 1.0 CD2 A:LEU72 3.9 10.7 1.0 CD2 A:PHE80 4.0 7.0 1.0 CD2 A:LEU127 4.0 9.5 1.0 CD1 A:TYR53 4.1 13.6 1.0 CD1 A:LEU72 4.3 13.8 1.0 CE1 A:PHE65 4.6 18.4 1.0 CZ A:PHE80 4.6 9.5 1.0 CG A:LEU72 4.7 11.3 1.0 CZ A:TYR53 4.7 9.9 1.0 CG A:PHE80 4.8 6.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Gnat Domain of S. Lividans Pat


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Gnat Domain of S. Lividans Pat within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:16.3 occ:1.00 F3 A:ETF201 0.0 16.3 1.0 C1 A:ETF201 1.3 14.3 1.0 F2 A:ETF201 2.2 15.3 1.0 F1 A:ETF201 2.2 16.0 1.0 C2 A:ETF201 2.3 8.3 1.0 O A:ETF201 2.8 11.3 1.0 CD2 A:PHE80 3.2 7.0 1.0 CD1 A:LEU72 3.4 13.8 1.0 CD1 A:LEU49 3.5 10.4 1.0 CD2 A:LEU49 3.6 11.7 1.0 CG A:PHE80 3.7 6.6 1.0 CG A:LEU49 3.8 9.0 1.0 CE2 A:PHE80 3.9 9.6 1.0 CB A:PHE80 3.9 5.7 1.0 CD2 A:LEU72 4.2 10.7 1.0 CG A:LEU72 4.4 11.3 1.0 CD1 A:PHE80 4.7 8.3 1.0 CD1 A:TYR53 4.8 13.6 1.0 CZ A:PHE80 4.9 9.5 1.0

A.C.Tucker, K.C.Taylor, K.C.Rank, I.Rayment, J.C.Escalante-Semerena. Insights Into the Specificity of Lysine Acetyltransferases J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.613901