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Chlorine in PDB 6b7a: Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol

Enzymatic activity of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol

All present enzymatic activity of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol:
2.7.7.3;

Protein crystallography data

The structure of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol, PDB code: 6b7a was solved by A.W.Proudfoot, D.Bussiere, A.Lingel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.70 / 1.99
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 134.600, 134.600, 134.600, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol (pdb code 6b7a). 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 E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol, PDB code: 6b7a:

Chlorine binding site 1 out of 1 in 6b7a

Go back to Chlorine Binding Sites List in 6b7a
Chlorine binding site 1 out of 1 in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol


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 E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-Methyl-1H-Benzo[D]Imidazol-4-Ol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:61.9
occ:1.00
O A:HOH402 2.9 47.8 1.0
O A:HOH354 3.1 54.9 1.0
NE2 A:HIS138 3.3 38.3 1.0
CE1 A:HIS138 3.6 39.2 1.0
CD2 A:HIS138 4.6 38.2 1.0
OE1 A:GLU134 4.9 40.0 1.0
ND1 A:HIS138 4.9 36.8 1.0

Reference:

A.Proudfoot, D.E.Bussiere, A.Lingel. High-Confidence Protein-Ligand Complex Modeling By uc(Nmr)-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc. V. 139 17824 2017.
ISSN: ESSN 1520-5126
PubMed: 29190085
DOI: 10.1021/JACS.7B07171
Page generated: Fri Jul 26 22:34:23 2024

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