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Chlorine 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:

Fluorine (F) 3 atoms

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 Benzofuran Ligand R0-09-4879 (pdb code 4cav). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was 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:

Chlorine binding site 1 out of 1 in 4cav

Go back to Chlorine Binding Sites List in 4cav
Chlorine binding site 1 out of 1 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 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 Benzofuran Ligand R0-09-4879 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1493

b:53.0
occ:1.00
 CBE A:2XQ1494 3.4 22.7 1.0
CAR A:2XQ1494 3.6 25.5 1.0
OAW A:2XQ1494 3.6 21.1 1.0
O A:HOH2225 3.7 20.5 1.0
CAZ A:2XQ1494 3.9 19.0 1.0
CD1 A:TYR263 3.9 22.1 1.0
CG A:TYR263 3.9 15.9 1.0
CE1 A:TYR263 4.1 20.1 1.0
CE1 A:HIS265 4.2 14.9 1.0
CBF A:2XQ1494 4.2 16.2 1.0
CD2 A:TYR263 4.2 21.0 1.0
CBG A:2XQ1494 4.3 19.5 1.0
CZ A:TYR263 4.4 18.6 1.0
CE2 A:TYR263 4.4 21.5 1.0
CB A:TYR263 4.5 16.0 1.0
NE2 A:HIS265 4.5 16.3 1.0
CAA A:2XQ1494 4.5 21.1 1.0
O A:HOH2188 4.9 39.1 1.0
OAV A:2XQ1494 5.0 28.2 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 10:59:43 2024

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