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Chlorine in PDB 5c9u: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid, PDB code: 5c9u 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) 44.68 / 1.95
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.740, 78.740, 224.655, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.6

Other elements in 5c9u:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid (pdb code 5c9u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid, PDB code: 5c9u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5c9u

Go back to Chlorine Binding Sites List in 5c9u
Chlorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic 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 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:50.1
occ:1.00
 CL12 A:4Z1803 0.0 50.1 1.0
C11 A:4Z1803 1.7 44.0 1.0
C10 A:4Z1803 2.7 38.9 1.0
C13 A:4Z1803 2.7 37.4 1.0
CE A:MET631 3.8 58.9 1.0
C14 A:4Z1803 4.0 40.5 1.0
C09 A:4Z1803 4.0 38.2 1.0
O A:HOH1084 4.0 41.4 1.0
CG A:MET631 4.1 47.9 1.0
CE A:MET515 4.2 30.8 1.0
O A:VAL118 4.2 28.0 1.0
CB A:SER275 4.3 30.9 1.0
CB A:ALA619 4.4 36.7 1.0
C08 A:4Z1803 4.6 41.9 1.0
SD A:MET631 4.6 65.5 1.0
O A:MET631 4.9 39.6 1.0
N A:ASP633 4.9 36.5 1.0
OG A:SER275 5.0 30.3 1.0
C A:VAL118 5.0 26.3 1.0
CB A:ASP633 5.0 34.0 1.0
C A:GLU632 5.0 37.4 1.0

Chlorine binding site 2 out of 2 in 5c9u

Go back to Chlorine Binding Sites List in 5c9u
Chlorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:54.3
occ:1.00
 CL15 A:4Z1803 0.0 54.3 1.0
C14 A:4Z1803 1.7 40.5 1.0
C13 A:4Z1803 2.6 37.4 1.0
C08 A:4Z1803 2.7 41.9 1.0
N07 A:4Z1803 3.1 41.7 1.0
CD1 A:LEU461 3.4 36.9 1.0
CG2 A:THR517 3.5 32.5 1.0
CG A:MET515 3.5 28.1 1.0
CB A:MET515 3.6 28.2 1.0
CA A:GLU632 3.8 38.7 1.0
N A:ASP633 3.9 36.5 1.0
O A:MET631 3.9 39.6 1.0
C11 A:4Z1803 3.9 44.0 1.0
C09 A:4Z1803 4.0 38.2 1.0
C A:GLU632 4.3 37.4 1.0
CB A:GLU632 4.3 37.2 1.0
N06 A:4Z1803 4.5 42.0 1.0
C10 A:4Z1803 4.5 38.9 1.0
OD1 A:ASP633 4.6 39.4 1.0
CG A:LEU461 4.6 32.9 1.0
CG A:ASP633 4.7 38.2 1.0
C A:MET631 4.7 41.5 1.0
N A:GLU632 4.7 38.9 1.0
CB A:THR517 4.8 37.3 1.0
CG A:GLU632 4.8 41.5 1.0
CA A:MET515 4.9 27.9 1.0
O A:HOH1276 5.0 31.5 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: Fri Jul 26 06:00:01 2024

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