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Fluorine in PDB 4cav: Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879

Enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879, PDB code: 4cav was solved by D.A.Robinson, W.Fang, O.G.Raimi, D.E.Blair, J.Harrison, G.F.Ruda, D.E.A.Lockhart, L.S.Torrie, P.G.Wyatt, I.H.Gilbert, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.93 / 1.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.430, 57.011, 143.388, 90.00, 90.00, 90.00
R / Rfree (%) 18.579 / 24.835

Other elements in 4cav:

The structure of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879 (pdb code 4cav). 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 Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879, PDB code: 4cav:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4cav

Go back to Fluorine Binding Sites List in 4cav
Fluorine binding site 1 out of 3 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879


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 Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1494

b:41.1
occ:1.00
FAB A:2XQ1494 0.0 41.1 1.0
CAY A:2XQ1494 1.4 37.3 1.0
CBA A:2XQ1494 2.3 32.7 1.0
CAJ A:2XQ1494 2.5 35.7 1.0
FAC A:2XQ1494 2.6 31.1 1.0
CB A:PHE278 3.4 22.9 1.0
CE1 A:PHE155 3.4 32.4 1.0
CZ A:PHE155 3.5 33.0 1.0
CG A:PHE278 3.5 24.9 1.0
CG2 A:VAL389 3.6 23.1 1.0
CD1 A:PHE278 3.6 27.6 1.0
CBB A:2XQ1494 3.6 30.1 1.0
CAK A:2XQ1494 3.7 30.5 1.0
CD1 A:PHE155 3.9 30.3 1.0
CG2 A:VAL276 4.0 15.8 1.0
CE2 A:PHE155 4.0 33.4 1.0
CB A:VAL389 4.0 20.4 1.0
CG1 A:VAL389 4.0 22.2 1.0
CBC A:2XQ1494 4.2 30.1 1.0
CD2 A:PHE278 4.4 22.8 1.0
CG A:PHE155 4.4 29.8 1.0
CD2 A:PHE155 4.5 33.5 1.0
CE1 A:PHE278 4.5 24.8 1.0
FAD A:2XQ1494 4.7 27.2 1.0
CD2 A:LEU273 4.7 20.1 1.0
CA A:PHE278 4.8 24.5 1.0

Fluorine binding site 2 out of 3 in 4cav

Go back to Fluorine Binding Sites List in 4cav
Fluorine binding site 2 out of 3 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879


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 Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1494

b:31.1
occ:1.00
FAC A:2XQ1494 0.0 31.1 1.0
CBA A:2XQ1494 1.4 32.7 1.0
CAY A:2XQ1494 2.4 37.3 1.0
CBB A:2XQ1494 2.4 30.1 1.0
FAB A:2XQ1494 2.6 41.1 1.0
FAD A:2XQ1494 2.7 27.2 1.0
CD2 A:PHE278 3.3 22.8 1.0
CD2 A:LEU273 3.4 20.1 1.0
CG A:PHE278 3.4 24.9 1.0
CE2 A:PHE278 3.6 25.1 1.0
CG1 A:VAL389 3.6 22.2 1.0
CG1 A:VAL432 3.6 15.9 1.0
CAJ A:2XQ1494 3.7 35.7 1.0
CBC A:2XQ1494 3.7 30.1 1.0
CD1 A:PHE278 3.8 27.6 1.0
CB A:PHE278 4.0 22.9 1.0
CZ A:PHE278 4.0 25.8 1.0
CB A:VAL432 4.0 17.9 1.0
CE1 A:PHE278 4.1 24.8 1.0
CAK A:2XQ1494 4.2 30.5 1.0
CG2 A:VAL432 4.3 18.8 1.0
CG A:LEU273 4.3 17.5 1.0
CD1 A:LEU273 4.4 18.0 1.0
CB A:VAL389 4.5 20.4 1.0
CG2 A:VAL389 4.6 23.1 1.0
OAV A:2XQ1494 4.8 28.2 1.0
CB A:LEU273 4.8 18.8 1.0

Fluorine binding site 3 out of 3 in 4cav

Go back to Fluorine Binding Sites List in 4cav
Fluorine binding site 3 out of 3 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879


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 Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Benzofuran Ligand R0-09-4879 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1494

b:27.2
occ:1.00
FAD A:2XQ1494 0.0 27.2 1.0
CBB A:2XQ1494 1.4 30.1 1.0
CBA A:2XQ1494 2.4 32.7 1.0
CBC A:2XQ1494 2.4 30.1 1.0
FAC A:2XQ1494 2.7 31.1 1.0
OAV A:2XQ1494 2.8 28.2 1.0
CG1 A:VAL432 3.1 15.9 1.0
OD1 A:ASN434 3.2 18.6 1.0
ND2 A:ASN434 3.3 18.3 1.0
CZ A:PHE278 3.5 25.8 1.0
CG2 A:VAL432 3.6 18.8 1.0
CAY A:2XQ1494 3.7 37.3 1.0
CG A:ASN434 3.7 20.4 1.0
CAK A:2XQ1494 3.7 30.5 1.0
CE2 A:PHE278 3.8 25.1 1.0
ND1 A:HIS265 3.8 15.9 1.0
CB A:VAL432 3.9 17.9 1.0
CE1 A:PHE278 4.0 24.8 1.0
CAR A:2XQ1494 4.1 25.5 1.0
CAJ A:2XQ1494 4.2 35.7 1.0
OAW A:2XQ1494 4.4 21.1 1.0
CD2 A:PHE278 4.4 22.8 1.0
CE1 A:HIS265 4.5 14.9 1.0
CBE A:2XQ1494 4.5 22.7 1.0
CG A:HIS265 4.6 15.6 1.0
CD1 A:PHE278 4.6 27.6 1.0
FAB A:2XQ1494 4.7 41.1 1.0
CB A:HIS265 4.7 16.8 1.0
CB A:ALA391 4.8 17.2 1.0
CG A:PHE278 4.8 24.9 1.0

Reference:

W.Fang, D.A.Robinson, O.G.Raimi, D.E.Blair, J.Harrison, G.F.Ruda, D.E.A.Lockhart, L.S.Torrie, P.G.Wyatt, I.H.Gilbert, D.M.F.Van Aalten. N-Myristoyltransferase Is A Cell Wall Target in Aspergillus Fumigatus To Be Published.
Page generated: Sun Dec 13 12:00:20 2020

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