Atomistry » Bromine » PDB 6c3u-6e41 » 6c6o
Atomistry »
  Bromine »
    PDB 6c3u-6e41 »
      6c6o »

Bromine in PDB 6c6o: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid, PDB code: 6c6o was solved by I.V.Krieger, J.C.Sacchettini, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.18 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.562, 79.562, 227.412, 90.00, 90.00, 90.00
R / Rfree (%) 26.8 / 34.9

Other elements in 6c6o:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid (pdb code 6c6o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid, PDB code: 6c6o:

Bromine binding site 1 out of 1 in 6c6o

Go back to Bromine Binding Sites List in 6c6o
Bromine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-Br-4-Oh-Phenyldiketoacid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br803

b:97.7
occ:1.00
 BR16 A:ENG803 0.0 97.7 1.0
C15 A:ENG803 1.9 58.0 1.0
C14 A:ENG803 2.8 57.2 1.0
C09 A:ENG803 2.9 50.0 1.0
C07 A:ENG803 3.2 46.8 1.0
O08 A:ENG803 3.4 49.5 1.0
CG1 A:VAL118 3.5 51.6 1.0
NH2 A:ARG339 3.6 34.6 1.0
C06 A:ENG803 4.1 46.3 1.0
CB A:VAL118 4.1 44.5 1.0
C12 A:ENG803 4.1 52.9 1.0
C10 A:ENG803 4.2 50.8 1.0
OD2 A:ASP633 4.3 51.6 1.0
CZ3 A:TRP541 4.6 44.3 1.0
CZ A:ARG339 4.6 40.2 1.0
CG2 A:VAL118 4.7 55.0 1.0
C11 A:ENG803 4.7 51.9 1.0
CE3 A:TRP541 4.7 45.3 1.0
OD2 A:ASP271 4.8 46.4 1.0
CB A:SER275 4.8 44.5 1.0

Reference:

J.F.Ellenbarger, I.V.Krieger, H.L.Huang, S.Gomez-Coca, T.R.Ioerger, J.C.Sacchettini, S.E.Wheeler, K.R.Dunbar. Anion-Pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase By Phenyl-Diketo Acids. J Chem Inf Model V. 58 2085 2018.
ISSN: ESSN 1549-960X
PubMed: 30137983
DOI: 10.1021/ACS.JCIM.8B00417
Page generated: Thu Jul 11 01:34:07 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy