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Bromine in PDB 5c9w: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide, PDB code: 5c9w was solved by H.-L.Huang, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.43 / 2.09
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.206, 78.206, 223.815, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 23.5

Other elements in 5c9w:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide (pdb code 5c9w). 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 (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide, PDB code: 5c9w:

Bromine binding site 1 out of 1 in 5c9w

Go back to Bromine Binding Sites List in 5c9w
Bromine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide


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 (Z)-N-(2-Bromophenyl)-2-(Hydroxyimino)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br804

b:64.3
occ:1.00
 BR13 A:4Z3804 0.0 64.3 1.0
C12 A:4Z3804 2.0 34.4 1.0
C11 A:4Z3804 3.0 31.6 1.0
O05 A:4Z3804 3.0 33.7 1.0
C07 A:4Z3804 3.1 31.2 1.0
C04 A:4Z3804 3.2 34.0 1.0
N06 A:4Z3804 3.4 36.2 1.0
O A:HOH963 3.6 32.1 1.0
CD1 A:LEU461 3.6 33.7 1.0
N A:ASP633 3.6 36.7 1.0
CG A:MET515 3.8 25.7 1.0
CB A:MET515 3.8 24.6 1.0
CA A:GLU632 3.9 34.4 1.0
CG2 A:THR517 3.9 27.7 1.0
CG A:ASP633 4.0 33.5 1.0
OD1 A:ASP633 4.0 30.9 1.0
O A:HOH1294 4.0 42.2 1.0
O A:MET631 4.1 33.5 1.0
C A:GLU632 4.2 33.0 1.0
OD2 A:ASP633 4.2 34.4 1.0
C03 A:4Z3804 4.4 34.1 1.0
C10 A:4Z3804 4.5 33.5 1.0
C08 A:4Z3804 4.5 25.2 1.0
CB A:ASP633 4.5 30.1 1.0
CB A:GLU632 4.6 32.0 1.0
CA A:ASP633 4.7 27.9 1.0
CE A:MET515 4.8 21.0 1.0
N A:GLU632 4.9 29.8 1.0
C A:MET631 5.0 32.5 1.0

Reference:

H.L.Huang, I.V.Krieger, M.K.Parai, V.B.Gawandi, J.C.Sacchettini. Mycobacterium Tuberculosis Malate Synthase Structures with Fragments Reveal A Portal For Substrate/Product Exchange. J. Biol. Chem. V. 291 27421 2016.
ISSN: ESSN 1083-351X
PubMed: 27738104
DOI: 10.1074/JBC.M116.750877
Page generated: Wed Jul 10 23:22:01 2024

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