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Chlorine in PDB 4cax: Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646)

Enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646)

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646):
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 Pyrazole Sulphonamide Ligand (DDD85646), PDB code: 4cax was solved by O.G.Raimi, D.A.Robinson, W.Fang, 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) 20.00 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.985, 58.576, 152.528, 90.00, 90.00, 90.00
R / Rfree (%) 22.375 / 27.648

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646) (pdb code 4cax). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646), PDB code: 4cax:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4cax

Go back to Chlorine Binding Sites List in 4cax
Chlorine binding site 1 out of 2 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1494

b:25.1
occ:1.00
 CLF A:6461494 0.0 25.1 1.0
CAW A:6461494 1.7 24.8 1.0
CAJ A:6461494 2.6 24.5 1.0
CBC A:6461494 2.8 23.8 1.0
OAE A:6461494 2.8 22.5 1.0
OH A:TYR393 3.0 19.2 1.0
SBF A:6461494 3.3 23.1 1.0
O A:HOH2259 3.7 22.1 1.0
ND2 A:ASN434 3.8 13.9 1.0
CZ A:TYR393 3.9 15.3 1.0
CE2 A:TYR393 3.9 15.9 1.0
CAZ A:6461494 3.9 25.6 1.0
CAX A:6461494 4.0 24.8 1.0
CE1 A:TYR263 4.0 18.6 1.0
CZ A:PHE157 4.1 20.0 1.0
CE1 A:PHE157 4.1 19.1 1.0
CD1 A:TYR263 4.1 18.5 1.0
O A:HOH2258 4.2 23.1 1.0
CE1 A:HIS265 4.2 15.0 1.0
CBB A:6461494 4.4 19.6 1.0
NAT A:6461494 4.4 21.4 1.0
OAD A:6461494 4.5 24.8 1.0
CAK A:6461494 4.5 25.4 1.0
CZ A:TYR263 4.5 18.8 1.0
CG A:ASN434 4.6 15.0 1.0
CAU A:6461494 4.6 19.7 1.0
CG A:TYR263 4.7 17.4 1.0
CAV A:6461494 4.7 19.1 1.0
ND1 A:HIS265 4.9 14.2 1.0

Chlorine binding site 2 out of 2 in 4cax

Go back to Chlorine Binding Sites List in 4cax
Chlorine binding site 2 out of 2 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand (DDD85646) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1494

b:28.0
occ:1.00
 CLG A:6461494 0.0 28.0 1.0
CAX A:6461494 1.7 24.8 1.0
CAK A:6461494 2.7 25.4 1.0
CBC A:6461494 2.7 23.8 1.0
SBF A:6461494 3.2 23.1 1.0
OAD A:6461494 3.2 24.8 1.0
NAT A:6461494 3.2 21.4 1.0
CAB A:6461494 3.4 20.0 1.0
O A:HOH2299 3.4 34.1 1.0
O A:HOH2078 3.6 25.4 1.0
O A:HOH2174 3.6 21.3 1.0
CA A:GLY455 3.9 21.0 1.0
N A:GLY455 3.9 21.9 1.0
CAZ A:6461494 4.0 25.6 1.0
CBB A:6461494 4.0 19.6 1.0
CAW A:6461494 4.0 24.8 1.0
O A:HOH2084 4.0 37.5 1.0
CAV A:6461494 4.1 19.1 1.0
CAJ A:6461494 4.5 24.5 1.0
OAE A:6461494 4.6 22.5 1.0
CB A:ASP150 4.8 17.0 1.0
C A:ASP454 4.8 23.0 1.0
CB A:ASP454 5.0 24.4 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: Fri Jul 11 13:50:26 2025

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