Atomistry » Magnesium » PDB 5c28-5ca0 » 5c9x
Atomistry »
  Magnesium »
    PDB 5c28-5ca0 »
      5c9x »

Magnesium in PDB 5c9x: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid, PDB code: 5c9x 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) 35.14 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.359, 79.359, 225.310, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 23.7

Other elements in 5c9x:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid also contains other interesting chemical elements:

Fluorine (F) 1 atom
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid (pdb code 5c9x). 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 2,4-Dichloro-5-Fluorobenzoic Acid, PDB code: 5c9x:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 5c9x

Go back to Magnesium Binding Sites List in 5c9x
Magnesium binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic 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 2,4-Dichloro-5-Fluorobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg801

b:31.4
occ:1.00
 OD2 A:ASP462 2.1 30.3 1.0
OE2 A:GLU434 2.1 28.8 1.0
O A:HOH956 2.1 27.9 1.0
O A:HOH964 2.1 27.6 1.0
O A:HOH1023 2.2 31.1 1.0
O A:HOH1299 2.2 34.1 1.0
CD A:GLU434 3.1 32.1 1.0
CG A:ASP462 3.1 32.9 1.0
OE1 A:GLU434 3.4 27.4 1.0
CB A:ASP462 3.5 28.2 1.0
O01 A:4Z4804 4.1 39.5 1.0
OD2 A:ASP274 4.2 36.3 1.0
NZ A:LYS399 4.2 26.6 1.0
NH1 A:ARG339 4.2 28.0 1.0
O A:HOH1014 4.2 32.0 1.0
OD1 A:ASP462 4.2 29.0 1.0
CG A:GLU434 4.4 27.1 1.0
OD2 A:ASP633 4.5 41.8 1.0
OE1 A:GLU273 4.5 28.6 1.0
CB A:ALA635 4.6 29.1 1.0
CB A:GLU434 4.6 29.3 1.0
N A:ASP462 4.7 32.9 1.0
CA A:ASP462 4.7 31.5 1.0
CE A:MET432 4.8 30.7 1.0
CG A:ASP274 4.9 33.4 1.0
O A:GLY459 4.9 32.5 1.0
C02 A:4Z4804 4.9 39.3 1.0
CA A:GLY459 4.9 36.7 1.0
O03 A:4Z4804 4.9 34.3 1.0

Magnesium binding site 2 out of 3 in 5c9x

Go back to Magnesium Binding Sites List in 5c9x
Magnesium binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic 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 2,4-Dichloro-5-Fluorobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:33.3
occ:1.00
 O A:LYS377 2.6 41.0 1.0
O A:LEU385 2.7 46.1 1.0
O A:HIS374 2.7 33.2 1.0
O A:ASN382 2.7 45.8 1.0
O A:ASN295 3.0 33.9 1.0
O A:GLY383 3.0 49.4 1.0
O A:LYS296 3.1 42.5 1.0
CA A:LYS296 3.5 38.0 1.0
C A:LYS296 3.6 42.1 1.0
C A:LEU385 3.6 45.8 1.0
C A:GLY383 3.6 49.8 1.0
C A:ASN382 3.7 48.1 1.0
C A:HIS374 3.7 35.7 1.0
N A:LEU385 3.7 44.5 1.0
C A:LYS377 3.8 46.5 1.0
C A:ASN295 4.0 32.0 1.0
CA A:GLY383 4.2 42.9 1.0
CA A:LEU385 4.2 46.8 1.0
N A:LYS296 4.3 30.7 1.0
N A:GLY383 4.3 45.3 1.0
CA A:ALA378 4.4 42.4 1.0
C A:PRO384 4.4 49.5 1.0
CB A:ASN382 4.4 44.8 1.0
CA A:GLY375 4.4 33.1 1.0
N A:PRO384 4.4 52.2 1.0
N A:GLY375 4.5 29.7 1.0
N A:ALA378 4.5 46.9 1.0
CA A:HIS374 4.7 35.8 1.0
CA A:ASN382 4.7 43.7 1.0
CB A:LYS296 4.7 32.1 1.0
N A:GLY297 4.7 34.2 1.0
N A:ILE386 4.7 43.8 1.0
CB A:HIS374 4.7 31.2 1.0
N A:LYS377 4.8 36.6 1.0
CA A:LYS377 4.8 37.8 1.0
CA A:PRO384 4.9 49.0 1.0
C A:GLY375 4.9 37.5 1.0

Magnesium binding site 3 out of 3 in 5c9x

Go back to Magnesium Binding Sites List in 5c9x
Magnesium binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic 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 2,4-Dichloro-5-Fluorobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:36.7
occ:1.00
 O A:HOH1202 1.9 46.7 1.0
O A:HOH1157 1.9 49.2 1.0
O A:HOH1339 1.9 43.5 1.0
O A:HOH1342 1.9 42.6 1.0
NE2 A:HIS235 2.2 42.8 1.0
O A:HOH1469 2.4 52.4 1.0
CE1 A:HIS235 3.0 38.5 1.0
CD2 A:HIS235 3.3 37.1 1.0
ND1 A:HIS235 4.1 37.4 1.0
OD1 A:ASN234 4.3 41.2 1.0
CG A:HIS235 4.3 37.8 1.0
O A:HOH1107 4.3 30.0 1.0
O A:HOH1460 4.4 56.8 1.0
OD2 A:ASP559 4.7 44.2 1.0
CB A:ASP559 4.7 42.4 1.0
CG A:ASP559 5.0 40.2 1.0
O A:HIS556 5.0 38.8 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 02:00:22 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy