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

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

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Pyrazole Sulphonamide Ligand:
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, PDB code: 4caw 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) 73 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.873, 57.830, 147.514, 90.00, 90.00, 90.00
R / Rfree (%) 24 / 29.9

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 (pdb code 4caw). 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, PDB code: 4caw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4caw

Go back to Chlorine Binding Sites List in 4caw
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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1493

b:22.6
occ:1.00
CLH A:P3U1493 0.0 22.6 1.0
CAX A:P3U1493 1.7 22.7 1.0
CAL A:P3U1493 2.7 22.4 1.0
OAF A:P3U1493 2.7 23.8 1.0
CBE A:P3U1493 2.7 23.1 1.0
OH A:TYR393 3.0 20.0 1.0
SBI A:P3U1493 3.2 23.7 1.0
CE2 A:TYR393 3.7 18.8 1.0
CZ A:PHE157 3.8 16.9 1.0
CZ A:TYR393 3.8 19.2 1.0
CBD A:P3U1493 3.9 24.1 1.0
CBC A:P3U1493 3.9 24.4 1.0
CE1 A:TYR263 4.0 17.1 1.0
CE1 A:PHE157 4.0 17.3 1.0
CAZ A:P3U1493 4.0 22.1 1.0
CAW A:P3U1493 4.0 22.8 1.0
NAV A:P3U1493 4.0 23.6 1.0
CAR A:P3U1493 4.1 24.3 1.0
ND2 A:ASN434 4.1 17.3 1.0
CD1 A:TYR263 4.2 17.7 1.0
CZ A:TYR263 4.3 16.7 1.0
NAT A:P3U1493 4.4 24.5 1.0
CBA A:P3U1493 4.4 24.2 1.0
CAK A:P3U1493 4.5 22.2 1.0
OAE A:P3U1493 4.5 24.2 1.0
NBH A:P3U1493 4.6 24.3 1.0
CG A:TYR263 4.7 17.4 1.0
OH A:TYR263 4.8 16.7 1.0
CG A:ASN434 4.8 17.7 1.0
CE2 A:TYR263 4.9 16.5 1.0

Chlorine binding site 2 out of 2 in 4caw

Go back to Chlorine Binding Sites List in 4caw
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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1493

b:23.0
occ:1.00
CLG A:P3U1493 0.0 23.0 1.0
CAW A:P3U1493 1.7 22.8 1.0
CAK A:P3U1493 2.7 22.2 1.0
CBE A:P3U1493 2.7 23.1 1.0
OAE A:P3U1493 2.9 24.2 1.0
SBI A:P3U1493 3.2 23.7 1.0
O A:HOH2093 3.3 12.6 1.0
CA A:GLY455 3.5 20.0 1.0
CAA A:P3U1493 3.6 24.6 1.0
NAV A:P3U1493 3.6 23.6 1.0
N A:GLY455 3.8 21.1 1.0
CAZ A:P3U1493 4.0 22.1 1.0
CAX A:P3U1493 4.0 22.7 1.0
CBD A:P3U1493 4.3 24.1 1.0
CBA A:P3U1493 4.4 24.2 1.0
CAL A:P3U1493 4.5 22.4 1.0
OAF A:P3U1493 4.7 23.8 1.0
C A:ASP454 4.7 21.9 1.0
CB A:ASP150 4.7 21.7 1.0
C A:GLY455 4.9 19.6 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 Jul 21 10:59:46 2024

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