Chlorine in PDB 3pka: M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form

All present enzymatic activity of M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form:
3.4.11.18;

The structure of M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form, PDB code: 3pka was solved by Q.Z.Ye, J.P.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.52 / 1.25
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	106.003, 106.003, 50.395, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 18.8

The structure of M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form (pdb code 3pka). 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 M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form, PDB code: 3pka:

Chlorine binding site 1 out of 1 in the M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of M. Tuberculosis Metap with Bengamide Analog Y02, in Mn Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl290 b:38.7 occ:1.00 NH1 A:ARG169 3.8 23.5 1.0 NH2 A:ARG169 3.8 22.6 1.0 NH1 A:ARG193 3.8 26.1 1.0 NH2 A:ARG193 3.9 28.4 1.0 CZ A:ARG169 4.2 21.6 1.0 CZ A:ARG193 4.4 22.6 1.0

J.P.Lu, X.H.Yuan, H.Yuan, W.L.Wang, B.Wan, S.G.Franzblau, Q.Z.Ye. Inhibition of Mycobacterium Tuberculosis Methionine Aminopeptidases By Bengamide Derivatives. Chemmedchem V. 6 1041 2011.
ISSN: ISSN 1860-7179
PubMed: 21465667
DOI: 10.1002/CMDC.201100003