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Magnesium in PDB 5c7v: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid, PDB code: 5c7v 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) 49.96 / 2.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.880, 78.880, 224.664, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 24.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid (pdb code 5c7v). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid, PDB code: 5c7v:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 5c7v

Go back to Magnesium Binding Sites List in 5c7v
Magnesium binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg801

b:20.0
occ:1.00
 O A:HOH1006 2.0 17.1 1.0
OE2 A:GLU434 2.0 26.0 1.0
OD2 A:ASP462 2.0 27.8 1.0
O A:HOH986 2.1 23.8 1.0
O A:HOH1226 2.2 27.7 1.0
O A:HOH1241 2.2 25.1 1.0
CG A:ASP462 3.0 26.7 1.0
CD A:GLU434 3.0 24.6 1.0
OE1 A:GLU434 3.4 25.2 1.0
CB A:ASP462 3.4 26.1 1.0
O A:HOH1291 4.0 26.9 1.0
O A:HOH995 4.0 31.2 1.0
CE A:MET432 4.1 32.3 1.0
OD2 A:ASP274 4.1 29.3 1.0
OD1 A:ASP462 4.1 26.4 1.0
NZ A:LYS399 4.2 20.5 1.0
O A:HOH930 4.3 28.3 1.0
CG A:GLU434 4.3 22.6 1.0
NH1 A:ARG339 4.4 29.1 1.0
CB A:ALA635 4.5 27.6 1.0
OD2 A:ASP633 4.6 27.4 1.0
OE1 A:GLU273 4.6 26.4 1.0
O A:HOH1233 4.6 20.5 1.0
CB A:GLU434 4.6 22.1 1.0
CA A:ASP462 4.6 24.1 1.0
N A:ASP462 4.7 27.0 1.0
CG A:ASP274 4.9 29.7 1.0

Magnesium binding site 2 out of 3 in 5c7v

Go back to Magnesium Binding Sites List in 5c7v
Magnesium binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:41.5
occ:1.00
 O A:HOH1156 2.2 38.2 1.0
O A:HOH1149 3.6 24.5 1.0
NE2 A:HIS469 3.9 27.9 1.0
O A:ALA703 3.9 33.6 1.0
O A:HOH1089 4.0 34.8 1.0
O A:GLN704 4.1 32.8 1.0
O A:GLN705 4.2 26.3 1.0
CE1 A:HIS469 4.4 28.6 1.0
C A:GLN704 4.4 33.6 1.0
CA A:GLN704 4.6 35.9 1.0
O A:HOH1045 4.6 31.4 1.0
CG A:GLN61 4.7 27.0 1.0
OD2 A:ASP65 4.8 33.8 1.0
C A:GLN705 4.9 30.2 1.0
O A:HOH1122 4.9 29.0 1.0
C A:ALA703 4.9 30.9 1.0
CA A:PRO706 5.0 27.9 1.0

Magnesium binding site 3 out of 3 in 5c7v

Go back to Magnesium Binding Sites List in 5c7v
Magnesium binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Pyrrole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:35.1
occ:1.00
 O A:HOH1017 2.1 35.0 1.0
O A:HOH1126 2.4 28.9 1.0
O A:HOH1281 2.5 30.2 1.0
NE2 A:HIS235 2.5 36.3 1.0
OD2 A:ASP559 3.3 35.4 1.0
CE1 A:HIS235 3.4 33.3 1.0
CD2 A:HIS235 3.6 30.3 1.0
CG A:ASP559 4.1 31.4 1.0
CB A:ASP559 4.2 28.4 1.0
O A:HOH1367 4.3 47.3 1.0
ND1 A:HIS235 4.5 34.9 1.0
CG A:HIS235 4.7 32.5 1.0
O A:HOH1091 5.0 36.1 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: Sun Sep 29 01:59:02 2024

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