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Gallium in PDB 6j2s: Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa

Protein crystallography data

The structure of Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa, PDB code: 6j2s was solved by Y.Guo, H.Y.Li, H.Z.Sun, W.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.35 / 1.73
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.930, 100.460, 58.540, 90.00, 109.55, 90.00
R / Rfree (%) 17.6 / 20.9

Gallium Binding Sites:

The binding sites of Gallium atom in the Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa (pdb code 6j2s). 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 Hita Bound to Gallium From Pseudomonas Aeruginosa, PDB code: 6j2s:
Jump to Gallium binding site number: 1; 2;

Gallium binding site 1 out of 2 in 6j2s

Go back to Gallium Binding Sites List in 6j2s
Gallium binding site 1 out of 2 in the Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Gallium with other atoms in the Ga binding site number 1 of Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ga402

b:16.5
occ:1.00
OH A:TYR223 1.9 13.6 1.0
O3 A:PO4401 1.9 15.9 1.0
OH A:TYR224 1.9 18.6 1.0
O A:HOH513 2.0 16.1 1.0
OE2 A:GLU87 2.1 15.9 1.0
NE2 A:HIS39 2.1 15.6 1.0
CZ A:TYR224 3.0 17.0 1.0
CD A:GLU87 3.0 16.9 1.0
CE1 A:HIS39 3.0 17.6 1.0
CZ A:TYR223 3.1 12.8 1.0
CD2 A:HIS39 3.2 16.8 1.0
OE1 A:GLU87 3.3 16.9 1.0
P A:PO4401 3.3 20.7 1.0
CE2 A:TYR223 3.5 13.4 1.0
CE1 A:TYR224 3.6 14.8 1.0
O4 A:PO4401 3.7 17.6 1.0
O1 A:PO4401 4.0 18.5 1.0
CE2 A:TYR224 4.0 14.5 1.0
O A:HOH542 4.1 23.7 1.0
OD1 A:ASN203 4.1 18.1 1.0
ND2 A:ASN221 4.1 14.7 1.0
ND1 A:HIS39 4.2 15.0 1.0
NH1 A:ARG129 4.2 14.6 1.0
CE1 A:TYR223 4.2 14.6 1.0
CG A:HIS39 4.3 18.0 1.0
O2 A:PO4401 4.3 19.7 1.0
CG A:GLU87 4.4 15.5 1.0
NH2 A:ARG129 4.4 17.9 1.0
CZ A:ARG129 4.8 12.3 1.0
CD1 A:TYR224 4.9 16.2 1.0
CD2 A:TYR223 4.9 13.6 1.0
CB A:GLU87 5.0 15.6 1.0

Gallium binding site 2 out of 2 in 6j2s

Go back to Gallium Binding Sites List in 6j2s
Gallium binding site 2 out of 2 in the Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Gallium with other atoms in the Ga binding site number 2 of Structure of Hita Bound to Gallium From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ga402

b:16.2
occ:1.00
OH B:TYR223 1.8 13.0 1.0
OH B:TYR224 2.0 13.4 1.0
O2 B:PO4401 2.0 16.7 1.0
OE1 B:GLU87 2.0 13.2 1.0
NE2 B:HIS39 2.1 16.9 1.0
O B:HOH517 2.1 15.7 1.0
CZ B:TYR223 3.0 12.0 1.0
CZ B:TYR224 3.0 17.0 1.0
CD B:GLU87 3.0 18.6 1.0
CE1 B:HIS39 3.0 19.0 1.0
CD2 B:HIS39 3.2 15.7 1.0
P B:PO4401 3.3 16.9 1.0
OE2 B:GLU87 3.4 18.2 1.0
CE1 B:TYR223 3.5 16.6 1.0
O3 B:PO4401 3.6 17.1 1.0
CE2 B:TYR224 3.6 14.6 1.0
CE1 B:TYR224 4.0 17.0 1.0
O4 B:PO4401 4.0 17.3 1.0
ND2 B:ASN221 4.0 15.0 1.0
NH1 B:ARG129 4.1 17.6 1.0
O B:HOH544 4.1 21.8 1.0
ND2 B:ASN203 4.1 17.6 1.0
ND1 B:HIS39 4.2 16.6 1.0
CE2 B:TYR223 4.2 12.8 1.0
CG B:HIS39 4.3 19.0 1.0
NH2 B:ARG129 4.3 14.9 1.0
CG B:GLU87 4.4 16.9 1.0
O1 B:PO4401 4.4 21.7 1.0
CZ B:ARG129 4.7 15.1 1.0
CD1 B:TYR223 4.9 14.4 1.0
CD2 B:TYR224 4.9 18.6 1.0
CB B:GLU87 5.0 16.7 1.0

Reference:

Y.Guo, W.Li, H.Li, W.Xia. Identification and Characterization of A Metalloprotein Involved in Gallium Internalization in Pseudomonas Aeruginosa. Acs Infect Dis. V. 5 1693 2019.
ISSN: ESSN 2373-8227
PubMed: 31475514
DOI: 10.1021/ACSINFECDIS.9B00271
Page generated: Wed Oct 28 18:37:01 2020

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