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Chlorine in PDB 5dx7: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid, PDB code: 5dx7 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) 34.94 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.951, 78.951, 225.128, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 25.6

Other elements in 5dx7:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid (pdb code 5dx7). 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 Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid, PDB code: 5dx7:

Chlorine binding site 1 out of 1 in 5dx7

Go back to Chlorine Binding Sites List in 5dx7
Chlorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid


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 Mycobacterium Tuberculosis Malate Synthase in Complex with 5-(5-Chlorothiophen-2-Yl)Isoxazole-3-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:76.0
occ:1.00
 CL A:5H6802 0.0 76.0 1.0
C12 A:5H6802 1.7 48.9 1.0
C11 A:5H6802 2.7 46.6 1.0
S14 A:5H6802 3.1 70.8 1.0
O A:HOH914 3.4 51.9 1.0
SD A:MET631 3.4 62.4 1.0
O A:PRO543 3.5 38.1 1.0
O A:HOH1298 3.6 50.9 1.0
C10 A:5H6802 3.9 43.4 1.0
CE A:MET631 4.0 50.7 1.0
CD A:PRO120 4.1 27.5 1.0
O A:VAL118 4.2 25.9 1.0
O A:HOH1262 4.2 47.8 1.0
C09 A:5H6802 4.3 46.6 1.0
CG A:MET631 4.3 47.1 1.0
CE1 A:PHE126 4.4 47.1 1.0
CZ A:PHE126 4.5 47.6 1.0
CG2 A:VAL119 4.5 32.9 1.0
C A:PRO543 4.6 35.0 1.0
CD1 A:PHE126 4.6 45.9 1.0
CE2 A:PHE126 4.8 42.0 1.0
CA A:VAL119 4.8 24.2 1.0
CG A:PHE126 4.9 34.0 1.0
CB A:ALA619 4.9 35.8 1.0
CD2 A:PHE126 5.0 38.2 1.0
CG A:PRO120 5.0 27.0 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: Sat Dec 12 11:39:57 2020

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