Atomistry » Magnesium » PDB 5ca1-5cgi » 5cc3
Atomistry »
  Magnesium »
    PDB 5ca1-5cgi »
      5cc3 »

Magnesium in PDB 5cc3: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid, PDB code: 5cc3 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) 44.46 / 2.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.236, 78.236, 224.145, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 24.9

Other elements in 5cc3:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid also contains other interesting chemical elements:

Bromine (Br) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid (pdb code 5cc3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid, PDB code: 5cc3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5cc3

Go back to Magnesium Binding Sites List in 5cc3
Magnesium binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-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 6-Bromo-1H-Indole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg801

b:19.1
occ:1.00
 OD2 A:ASP462 2.0 22.4 1.0
O A:HOH989 2.0 18.3 1.0
O A:HOH1146 2.1 17.2 1.0
OE2 A:GLU434 2.1 22.2 1.0
O A:HOH1325 2.1 22.4 1.0
O A:HOH1247 2.2 28.0 1.0
CG A:ASP462 3.1 20.3 1.0
CD A:GLU434 3.1 21.5 1.0
OE1 A:GLU434 3.5 19.9 1.0
CB A:ASP462 3.6 21.8 1.0
O A:HOH1367 3.7 28.5 1.0
O A:HOH902 3.8 28.8 1.0
OD2 A:ASP274 4.0 21.7 1.0
NH1 A:ARG339 4.0 22.1 1.0
NZ A:LYS399 4.1 19.0 1.0
OD1 A:ASP462 4.1 16.7 1.0
O A:HOH1312 4.3 35.3 1.0
CG A:GLU434 4.4 19.3 1.0
CB A:ALA635 4.5 19.1 1.0
OD2 A:ASP633 4.5 26.8 1.0
OE1 A:GLU273 4.6 19.3 1.0
O A:HOH1271 4.6 16.0 1.0
CE A:MET432 4.6 28.6 1.0
O A:HOH1000 4.7 32.5 1.0
CB A:GLU434 4.7 17.6 1.0
CA A:ASP462 4.8 20.6 1.0
CG A:ASP274 4.8 23.7 1.0
N A:ASP462 4.8 20.6 1.0
CZ A:ARG339 5.0 21.1 1.0

Magnesium binding site 2 out of 2 in 5cc3

Go back to Magnesium Binding Sites List in 5cc3
Magnesium binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-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 6-Bromo-1H-Indole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:21.9
occ:1.00
 OG1 A:THR482 2.8 22.7 1.0
CD A:ARG479 3.2 34.6 1.0
N A:ARG479 3.2 23.0 1.0
NE1 A:TRP589 3.3 35.3 1.0
CB A:THR482 3.5 23.5 1.0
CB A:VAL478 3.5 18.9 1.0
CG2 A:THR482 3.6 22.1 1.0
CA A:VAL478 3.8 21.1 1.0
CG A:ARG479 3.9 30.6 1.0
CB A:ARG479 3.9 22.2 1.0
NH1 A:ARG479 3.9 33.4 1.0
CG1 A:VAL478 3.9 24.5 1.0
C A:VAL478 4.0 24.4 1.0
CA A:ARG479 4.2 27.0 1.0
CD1 A:TRP589 4.3 32.5 1.0
CE2 A:TRP589 4.3 30.6 1.0
NE A:ARG479 4.3 38.2 1.0
CZ2 A:TRP589 4.6 29.5 1.0
CZ A:ARG479 4.6 39.4 1.0
CG2 A:VAL478 4.7 20.1 1.0
O A:ARG479 4.9 26.9 1.0
CA A:THR482 4.9 26.8 1.0

Reference:

H.-L.Huang, I.V.Krieger, V.B.Gawandi, M.Parai, J.C.Sacchettini. Crystal Structures of Fragment-Bound Malate Synthase From Mycobacterium Tuberculosis Provide Insights Into Mechanism and Potential Inhibitor Designs To Be Published.
Page generated: Sun Sep 29 02:02:59 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