Atomistry » Chlorine » PDB 5cai-5cmt » 5cbi
Atomistry »
  Chlorine »
    PDB 5cai-5cmt »
      5cbi »

Chlorine in PDB 5cbi: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile, PDB code: 5cbi 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) 45.10 / 1.99
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.801, 79.801, 225.064, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 24.1

Other elements in 5cbi:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile 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-Chloro-2-Hydroxybenzonitrile (pdb code 5cbi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile, PDB code: 5cbi:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5cbi

Go back to Chlorine Binding Sites List in 5cbi
Chlorine binding site 1 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile


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-Chloro-2-Hydroxybenzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:41.8
occ:1.00
 CL06 A:4ZC802 0.0 41.8 1.0
C05 A:4ZC802 1.7 36.3 1.0
C07 A:4ZC802 2.7 38.2 1.0
C04 A:4ZC802 2.7 36.2 1.0
CG A:GLN51 3.8 31.1 1.0
C08 A:4ZC802 4.0 37.5 1.0
C03 A:4ZC802 4.0 37.1 1.0
CZ A:PHE359 4.0 27.1 1.0
CD1 A:LEU54 4.0 24.3 1.0
O A:HOH1296 4.1 36.9 1.0
CA A:GLN51 4.3 30.0 1.0
CB A:GLN51 4.3 29.2 1.0
C02 A:4ZC802 4.5 38.8 1.0
CB A:LEU54 4.7 28.0 1.0
CE1 A:PHE359 4.7 28.3 1.0
O A:GLN51 4.7 25.3 1.0
O A:HOH1197 4.7 43.2 1.0
CD A:GLN51 4.8 32.6 1.0
NE2 A:GLN51 4.8 35.2 1.0
CG A:LEU54 5.0 26.1 1.0

Chlorine binding site 2 out of 4 in 5cbi

Go back to Chlorine Binding Sites List in 5cbi
Chlorine binding site 2 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile


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 5-Chloro-2-Hydroxybenzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:30.1
occ:1.00
 CL06 A:4ZC803 0.0 30.1 1.0
C05 A:4ZC803 1.8 30.6 1.0
C04 A:4ZC803 2.7 26.9 1.0
C07 A:4ZC803 2.7 26.9 1.0
SD A:MET631 3.7 36.0 1.0
CG A:MET631 3.8 37.9 1.0
CB A:ALA619 3.8 29.5 1.0
C03 A:4ZC803 4.0 29.0 1.0
CB A:SER275 4.0 25.4 1.0
C04 A:4ZC804 4.0 38.4 1.0
C08 A:4ZC803 4.0 27.7 1.0
O A:VAL118 4.3 27.1 1.0
C03 A:4ZC804 4.4 40.1 1.0
C02 A:4ZC803 4.5 26.9 1.0
CE A:MET515 4.6 27.4 1.0
O A:GLU632 4.6 26.0 1.0
CB A:ASP633 4.7 26.2 1.0
O A:MET631 4.7 28.3 1.0
C A:GLU632 4.7 27.2 1.0
OG A:SER275 4.8 24.1 1.0
N A:ASP633 4.9 24.6 1.0
C A:MET631 5.0 30.4 1.0

Chlorine binding site 3 out of 4 in 5cbi

Go back to Chlorine Binding Sites List in 5cbi
Chlorine binding site 3 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:41.1
occ:1.00
 CL06 A:4ZC804 0.0 41.1 1.0
C05 A:4ZC804 1.8 41.3 1.0
C04 A:4ZC804 2.7 38.4 1.0
C07 A:4ZC804 2.8 44.5 1.0
O A:ALA619 3.2 28.9 1.0
CE2 A:PHE126 3.4 46.6 1.0
CD2 A:PHE126 3.5 48.1 1.0
C A:ALA619 3.7 30.5 1.0
CB A:ALA619 3.9 29.5 1.0
CE A:MET631 3.9 39.0 1.0
C03 A:4ZC804 4.0 40.1 1.0
CG A:PRO120 4.0 27.7 1.0
O A:HOH1138 4.0 33.0 1.0
C08 A:4ZC804 4.1 41.0 1.0
O A:HOH1348 4.1 51.2 1.0
N A:SER620 4.1 29.5 1.0
SD A:MET631 4.2 36.0 1.0
CD A:PRO120 4.3 25.4 1.0
CA A:SER620 4.3 30.8 1.0
CZ A:PHE126 4.4 50.9 1.0
CA A:ALA619 4.5 29.7 1.0
C02 A:4ZC804 4.6 39.6 1.0
CG A:PHE126 4.6 45.0 1.0

Chlorine binding site 4 out of 4 in 5cbi

Go back to Chlorine Binding Sites List in 5cbi
Chlorine binding site 4 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 5-Chloro-2-Hydroxybenzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl805

b:56.7
occ:1.00
 CL06 A:4ZC805 0.0 56.7 1.0
C05 A:4ZC805 1.8 47.3 1.0
C04 A:4ZC805 2.7 42.3 1.0
C07 A:4ZC805 2.7 44.8 1.0
CD2 A:TYR143 3.9 39.0 1.0
C03 A:4ZC805 4.0 43.7 1.0
C08 A:4ZC805 4.1 50.6 1.0
CB A:TYR143 4.1 37.9 1.0
CD2 A:TYR139 4.1 33.8 1.0
CG1 A:VAL168 4.2 33.4 1.0
CG A:TYR143 4.2 40.5 1.0
CB A:TYR139 4.2 33.6 1.0
CE1 A:TYR160 4.4 43.3 1.0
O A:TYR139 4.4 35.2 1.0
CG2 A:VAL249 4.5 54.9 1.0
CA A:GLY165 4.5 37.1 1.0
CB A:VAL168 4.5 35.6 1.0
CG A:TYR139 4.5 35.0 1.0
CG2 A:VAL168 4.5 33.0 1.0
C02 A:4ZC805 4.5 47.1 1.0
CE2 A:TYR143 4.7 40.1 1.0
C A:TYR139 4.8 33.9 1.0
CA A:TYR139 4.9 32.0 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 11:34:48 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy