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Chlorine in PDB 5c9r: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-((4-Chlorophenyl)Thio)Propanoic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-((4-Chlorophenyl)Thio)Propanoic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-((4-Chlorophenyl)Thio)Propanoic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-((4-Chlorophenyl)Thio)Propanoic Acid, PDB code: 5c9r 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) 44.57 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.497, 78.497, 224.279, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 25

Other elements in 5c9r:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-((4-Chlorophenyl)Thio)Propanoic 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 3-((4-Chlorophenyl)Thio)Propanoic Acid (pdb code 5c9r). 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 3-((4-Chlorophenyl)Thio)Propanoic Acid, PDB code: 5c9r:

Chlorine binding site 1 out of 1 in 5c9r

Go back to Chlorine Binding Sites List in 5c9r
Chlorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-((4-Chlorophenyl)Thio)Propanoic 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 3-((4-Chlorophenyl)Thio)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:42.9
occ:1.00
 CL11 A:4YZ802 0.0 42.9 1.0
C10 A:4YZ802 1.8 29.2 1.0
C09 A:4YZ802 2.7 28.5 1.0
C12 A:4YZ802 2.8 26.3 1.0
CE A:MET631 3.5 33.1 1.0
O A:VAL118 3.5 22.7 1.0
CB A:SER275 3.6 24.2 1.0
O A:HOH1290 3.9 31.4 1.0
CD A:PRO120 3.9 26.3 1.0
CB A:ALA619 3.9 30.6 1.0
OG A:SER275 3.9 24.5 1.0
C08 A:4YZ802 4.0 24.3 1.0
C13 A:4YZ802 4.0 30.7 1.0
C A:VAL118 4.2 21.4 1.0
CA A:VAL119 4.5 21.3 1.0
SD A:MET631 4.5 48.2 1.0
O A:HOH1517 4.6 37.2 1.0
C07 A:4YZ802 4.6 27.9 1.0
N A:VAL119 4.6 22.5 1.0
N A:PRO120 4.7 23.9 1.0
CG1 A:VAL118 4.8 21.2 1.0
CB A:VAL118 4.8 26.9 1.0
CE A:MET515 4.8 21.8 1.0
C A:VAL119 4.8 22.8 1.0
CA A:SER275 5.0 20.5 1.0
CG A:PRO120 5.0 28.1 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: Fri Jul 26 05:59:39 2024

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