Atomistry » Gallium » PDB 1cfw-6j2s » 3qug
Atomistry »
  Gallium »
    PDB 1cfw-6j2s »
      3qug »

Gallium in PDB 3qug: Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin

Protein crystallography data

The structure of Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin, PDB code: 3qug was solved by Y.Moriwaki, J.M.M.Caaveiro, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.70
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.203, 70.120, 75.422, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25.7

Gallium Binding Sites:

The binding sites of Gallium atom in the Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin (pdb code 3qug). This binding sites where shown within 5.0 Angstroms radius around Gallium atom.
In total 2 binding sites of Gallium where determined in the Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin, PDB code: 3qug:
Jump to Gallium binding site number: 1; 2;

Gallium binding site 1 out of 2 in 3qug

Go back to Gallium Binding Sites List in 3qug
Gallium binding site 1 out of 2 in the Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin


Mono view


Stereo pair view

A full contact list of Gallium with other atoms in the Ga binding site number 1 of Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ga700

b:25.9
occ:1.00
GA A:GIX700 0.0 25.9 1.0
OH A:TYR642 1.9 23.4 1.0
NA A:GIX700 2.0 27.5 1.0
NC A:GIX700 2.1 25.1 1.0
NB A:GIX700 2.1 27.4 1.0
ND A:GIX700 2.2 24.0 1.0
CZ A:TYR642 2.8 24.2 1.0
C4A A:GIX700 3.0 26.0 1.0
C4C A:GIX700 3.0 24.0 1.0
C1B A:GIX700 3.1 26.7 1.0
C1A A:GIX700 3.1 29.8 1.0
C1D A:GIX700 3.1 21.8 1.0
C1C A:GIX700 3.2 25.8 1.0
C4B A:GIX700 3.2 28.6 1.0
CHB A:GIX700 3.3 23.1 1.0
C4D A:GIX700 3.3 27.6 1.0
CHD A:GIX700 3.4 21.0 1.0
CE2 A:TYR642 3.5 21.5 1.0
CHC A:GIX700 3.6 24.4 1.0
CHA A:GIX700 3.6 26.4 1.0
CE1 A:TYR642 3.7 21.4 1.0
CG1 A:VAL564 3.8 24.7 1.0
OH A:TYR646 3.8 25.8 1.0
C3A A:GIX700 4.2 28.6 1.0
C2A A:GIX700 4.3 30.3 1.0
C3C A:GIX700 4.3 21.7 1.0
C2C A:GIX700 4.3 24.6 1.0
CE1 A:TYR646 4.3 24.7 1.0
C2B A:GIX700 4.4 27.5 1.0
CZ A:TYR646 4.4 26.5 1.0
C3B A:GIX700 4.4 27.5 1.0
C2D A:GIX700 4.4 23.0 1.0
CB A:VAL564 4.5 23.1 1.0
C3D A:GIX700 4.6 20.4 1.0
CD2 A:TYR642 4.8 25.1 1.0
CG2 A:VAL564 4.9 24.4 1.0
CD1 A:TYR642 4.9 22.4 1.0
CG2 A:VAL635 5.0 23.0 0.5

Gallium binding site 2 out of 2 in 3qug

Go back to Gallium Binding Sites List in 3qug
Gallium binding site 2 out of 2 in the Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin


Mono view


Stereo pair view

A full contact list of Gallium with other atoms in the Ga binding site number 2 of Structure of Heme Transport Protein Isdh-NEAT3 From S. Aureus in Complex with Gallium-Porphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ga700

b:26.2
occ:1.00
GA B:GIX700 0.0 26.2 1.0
OH B:TYR642 2.0 28.2 1.0
NA B:GIX700 2.1 25.4 1.0
ND B:GIX700 2.1 27.1 1.0
NC B:GIX700 2.1 18.7 1.0
NB B:GIX700 2.2 26.1 1.0
C4A B:GIX700 2.9 26.2 1.0
CZ B:TYR642 2.9 25.5 1.0
C1D B:GIX700 3.0 22.7 1.0
C4C B:GIX700 3.0 20.7 1.0
C1B B:GIX700 3.0 23.4 1.0
CHD B:GIX700 3.2 22.6 1.0
C4D B:GIX700 3.2 26.8 1.0
C1A B:GIX700 3.2 30.6 1.0
CHB B:GIX700 3.2 23.4 1.0
C4B B:GIX700 3.3 27.0 1.0
C1C B:GIX700 3.4 27.7 1.0
CE2 B:TYR642 3.6 26.1 1.0
CHA B:GIX700 3.7 25.4 1.0
CHC B:GIX700 3.8 22.7 1.0
CE1 B:TYR642 3.8 25.4 1.0
CG1 B:VAL564 3.8 22.3 1.0
OH B:TYR646 4.0 24.0 1.0
C3A B:GIX700 4.2 27.6 1.0
C2D B:GIX700 4.3 24.7 1.0
CE1 B:TYR646 4.3 23.8 1.0
C3C B:GIX700 4.3 21.4 1.0
C2B B:GIX700 4.3 27.6 1.0
C2A B:GIX700 4.3 30.4 1.0
C3D B:GIX700 4.4 22.0 1.0
C3B B:GIX700 4.4 24.7 1.0
CB B:VAL564 4.4 25.3 1.0
CZ B:TYR646 4.4 24.7 1.0
C2C B:GIX700 4.4 21.9 1.0
CG2 B:VAL564 4.7 26.4 1.0
CD2 B:TYR642 4.8 23.3 1.0
CMB A:GIX700 4.9 27.7 1.0
CD1 B:TYR642 5.0 23.4 1.0

Reference:

Y.Moriwaki, J.M.M.Caaveiro, Y.Tanaka, H.Tsutsumi, I.Hamachi, K.Tsumoto. Molecular Basis of Recognition of Antibacterial Porphyrins By Heme-Transporter Isdh-NEAT3 of Staphylococcus Aureus. Biochemistry V. 50 7311 2011.
ISSN: ISSN 0006-2960
PubMed: 21797259
DOI: 10.1021/BI200493H
Page generated: Sun Dec 13 18:55:38 2020

Last articles

Zn in 7NN0
Zn in 7NIO
Zn in 7LUP
Zn in 7M1Y
Zn in 7LO4
Zn in 7KWO
Zn in 7KJY
Zn in 7KCQ
Zn in 7KC2
Zn in 7KCB
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy