Atomistry » Magnesium » PDB 7rb1-7rix » 7rbx
Atomistry »
  Magnesium »
    PDB 7rb1-7rix »
      7rbx »

Magnesium in PDB 7rbx: Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid

Enzymatic activity of Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid

All present enzymatic activity of Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid:
4.1.3.1;

Protein crystallography data

The structure of Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid, PDB code: 7rbx was solved by Seattle Structural Genomics Center For Infectious Disease, T.E.Edwards, J.Abendroth, Seattle Structural Genomics Center Forinfectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.59 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.75, 136.27, 181.98, 90, 90, 90
R / Rfree (%) 14.3 / 16.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid (pdb code 7rbx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid, PDB code: 7rbx:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7rbx

Go back to Magnesium Binding Sites List in 7rbx
Magnesium binding site 1 out of 4 in the Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic 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 Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:31.6
occ:1.00
 OD2 A:ASP147 2.1 22.1 1.0
O A:HOH668 2.2 27.8 1.0
O A:HOH633 2.2 26.7 1.0
O A:HOH613 2.3 30.9 1.0
O1 A:ITN502 2.4 30.7 1.0
CG A:ASP147 3.1 21.1 1.0
C1 A:ITN502 3.3 31.1 1.0
OD1 A:ASP147 3.4 20.0 1.0
O A:HOH630 3.5 26.5 1.0
O2 A:ITN502 3.7 30.2 1.0
OD2 A:ASP101 4.0 27.6 1.0
NZ A:LYS183 4.1 29.2 1.0
N A:TRP86 4.1 20.1 1.0
NH1 A:ARG222 4.1 24.2 1.0
N A:GLY85 4.2 20.3 1.0
CA A:GLY85 4.3 20.8 1.0
OD1 A:ASP101 4.3 27.5 1.0
CE A:LYS183 4.3 31.5 1.0
CB A:ASP147 4.4 19.6 1.0
CE1 A:HIS174 4.5 18.9 1.0
CG A:GLU149 4.5 25.9 1.0
C A:GLY85 4.5 21.6 1.0
C2 A:ITN502 4.6 30.0 1.0
CG A:ASP101 4.6 28.6 1.0
OE2 A:GLU149 4.7 32.1 1.0
OE1 A:GLU176 4.7 25.5 1.0
OH A:TYR82 4.8 23.4 1.0
CB A:TRP86 5.0 20.6 1.0

Magnesium binding site 2 out of 4 in 7rbx

Go back to Magnesium Binding Sites List in 7rbx
Magnesium binding site 2 out of 4 in the Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic 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 Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:32.5
occ:1.00
 OD2 B:ASP147 2.2 23.8 1.0
O B:HOH709 2.2 27.7 1.0
O B:HOH634 2.2 28.2 1.0
O B:HOH607 2.3 27.5 1.0
O2 B:ITN501 2.5 31.0 1.0
CG B:ASP147 3.2 24.8 1.0
C1 B:ITN501 3.4 34.1 1.0
OD1 B:ASP147 3.5 24.3 1.0
O B:HOH654 3.5 27.7 1.0
O1 B:ITN501 3.8 30.9 1.0
OD2 B:ASP101 3.9 26.7 1.0
NZ B:LYS183 4.0 28.1 1.0
N B:TRP86 4.0 21.6 1.0
N B:GLY85 4.1 22.0 1.0
NH1 B:ARG222 4.2 27.4 1.0
CA B:GLY85 4.2 22.8 1.0
OD1 B:ASP101 4.3 28.1 1.0
CE B:LYS183 4.3 29.8 1.0
C B:GLY85 4.5 22.8 1.0
CB B:ASP147 4.5 21.8 1.0
CG B:GLU149 4.5 25.4 1.0
CE1 B:HIS174 4.5 25.3 1.0
CG B:ASP101 4.5 27.8 1.0
OE2 B:GLU149 4.6 30.8 1.0
C2 B:ITN501 4.6 29.8 1.0
OE1 B:GLU176 4.8 26.0 1.0
OH B:TYR82 4.9 24.3 1.0
CD B:GLU149 5.0 30.5 1.0
CB B:TRP86 5.0 21.3 1.0
CA B:TRP86 5.0 21.8 1.0

Magnesium binding site 3 out of 4 in 7rbx

Go back to Magnesium Binding Sites List in 7rbx
Magnesium binding site 3 out of 4 in the Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic 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 Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg503

b:28.5
occ:1.00
 OD2 C:ASP147 2.2 21.7 1.0
O C:HOH689 2.2 27.0 1.0
O C:HOH690 2.2 23.6 1.0
O C:HOH615 2.4 27.8 1.0
O2 C:ITN502 2.5 28.3 1.0
CG C:ASP147 3.1 20.0 1.0
C1 C:ITN502 3.3 26.2 1.0
OD1 C:ASP147 3.5 20.6 1.0
O C:HOH611 3.5 24.5 1.0
O1 C:ITN502 3.6 27.7 1.0
OD2 C:ASP101 3.9 24.2 1.0
NZ C:LYS183 4.0 26.1 1.0
N C:TRP86 4.1 19.1 1.0
N C:GLY85 4.1 18.7 1.0
NH1 C:ARG222 4.2 24.6 1.0
CA C:GLY85 4.2 20.6 1.0
OD1 C:ASP101 4.2 25.2 1.0
CE C:LYS183 4.3 25.9 1.0
CG C:GLU149 4.4 22.8 1.0
C C:GLY85 4.5 24.0 1.0
CB C:ASP147 4.5 19.3 1.0
CG C:ASP101 4.5 26.7 1.0
CE1 C:HIS174 4.6 19.8 1.0
C2 C:ITN502 4.6 25.7 1.0
OE2 C:GLU149 4.6 29.9 1.0
OE1 C:GLU176 4.7 24.0 1.0
CD C:GLU149 4.9 25.0 1.0
OH C:TYR82 5.0 20.4 1.0
CB C:TRP86 5.0 19.1 1.0

Magnesium binding site 4 out of 4 in 7rbx

Go back to Magnesium Binding Sites List in 7rbx
Magnesium binding site 4 out of 4 in the Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Isocitrate Lyase and Phosphorylmutase:Isocitrate Lyase From Brucella Melitensis Biovar Abortus 2308 Bound to Itaconic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:29.7
occ:1.00
 OD2 D:ASP147 2.2 22.6 1.0
O D:HOH621 2.2 27.0 1.0
O D:HOH647 2.2 28.3 1.0
O D:HOH605 2.3 28.1 1.0
O1 D:ITN502 2.3 30.5 1.0
CG D:ASP147 3.2 24.1 1.0
C1 D:ITN502 3.2 32.2 1.0
O D:HOH625 3.5 26.1 1.0
OD1 D:ASP147 3.5 23.0 1.0
O2 D:ITN502 3.6 28.4 1.0
OD2 D:ASP101 3.9 27.9 1.0
N D:TRP86 4.1 21.8 1.0
NZ D:LYS183 4.1 25.6 1.0
NH1 D:ARG222 4.1 27.2 1.0
N D:GLY85 4.1 23.1 1.0
OD1 D:ASP101 4.2 27.3 1.0
CA D:GLY85 4.3 22.9 1.0
CE D:LYS183 4.3 25.7 1.0
CG D:GLU149 4.4 26.4 1.0
C2 D:ITN502 4.5 26.9 1.0
C D:GLY85 4.5 21.1 1.0
CB D:ASP147 4.5 24.8 1.0
CG D:ASP101 4.5 26.5 1.0
OE2 D:GLU149 4.6 29.9 1.0
CE1 D:HIS174 4.6 20.8 1.0
OE1 D:GLU176 4.7 25.6 1.0
OH D:TYR82 4.9 24.3 1.0
CD D:GLU149 4.9 30.1 1.0
CB D:TRP86 5.0 23.4 1.0

Reference:

A.Demars, A.Vitali, A.Comein, E.Carlier, A.Azouz, S.Goriely, J.Smout, V.Flamand, M.Van Gysel, J.Wouters, J.Abendroth, T.E.Edwards, A.Machelart, E.Hoffmann, P.Brodin, X.De Bolle, E.Muraille. Aconitate Decarboxylase 1 Participates in the Control of Pulmonary Brucella Infection in Mice. Plos Pathog. V. 17 09887 2021.
ISSN: ESSN 1553-7374
PubMed: 34525130
DOI: 10.1371/JOURNAL.PPAT.1009887
Page generated: Thu Oct 3 07:45:41 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy