Atomistry » Chlorine » PDB 5c2e-5caj » 5c9u
Atomistry »
  Chlorine »
    PDB 5c2e-5caj »
      5c9u »

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

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy