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Chlorine in PDB 4xu3: Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose

Enzymatic activity of Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose

All present enzymatic activity of Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose:
6.3.4.15;

Protein crystallography data

The structure of Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose, PDB code: 4xu3 was solved by T.De La Mora-Rey, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.66 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.326, 68.730, 114.093, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose (pdb code 4xu3). 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 Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose, PDB code: 4xu3:

Chlorine binding site 1 out of 1 in 4xu3

Go back to Chlorine Binding Sites List in 4xu3
Chlorine binding site 1 out of 1 in the Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Tuberculosis Biotin Ligase Complexed with Bisubstrate Inhibitor 90 That Has An Acyclic Ether in Place of the Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:48.2
occ:1.00
NH2 A:ARG4 3.4 34.9 1.0
NE A:ARG4 3.7 37.3 1.0
CZ A:ARG4 3.9 40.0 1.0
CD A:ARG4 4.8 39.9 1.0

Reference:

M.R.Bockman, A.S.Kalinda, R.Petrelli, T.De La Mora-Rey, D.Tiwari, F.Liu, S.Dawadi, M.Nandakumar, K.Y.Rhee, D.Schnappinger, B.C.Finzel, C.C.Aldrich. Targeting Mycobacterium Tuberculosis Biotin Protein Ligase (Mtbpl) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem. V. 58 7349 2015.
ISSN: ISSN 0022-2623
PubMed: 26299766
DOI: 10.1021/ACS.JMEDCHEM.5B00719
Page generated: Sat Dec 12 11:21:35 2020

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