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Arsenic in PDB 3psz: Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form)

Protein crystallography data

The structure of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form), PDB code: 3psz was solved by X.Xiong, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.45 / 2.20
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 88.730, 116.290, 55.100, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 27

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) (pdb code 3psz). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form), PDB code: 3psz:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 3psz

Go back to Arsenic Binding Sites List in 3psz
Arsenic binding site 1 out of 4 in the Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As6

b:43.6
occ:1.00
AS A:CAS6 0.0 43.6 1.0
CE1 A:CAS6 2.0 46.0 1.0
CE2 A:CAS6 2.0 46.4 1.0
SG A:CAS6 2.2 31.2 1.0
CB A:CAS6 3.1 28.9 1.0
OE1 A:GLU8 3.7 46.9 1.0
CA A:CAS6 4.5 25.7 1.0
CD1 A:ILE28 4.6 18.9 1.0
CD A:GLU8 4.8 43.6 1.0
CD A:ARG26 4.9 17.8 1.0
O4 A:PO4227 4.9 53.3 1.0
C A:CAS6 4.9 24.8 1.0

Arsenic binding site 2 out of 4 in 3psz

Go back to Arsenic Binding Sites List in 3psz
Arsenic binding site 2 out of 4 in the Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As114

b:27.0
occ:1.00
AS A:CAS114 0.0 27.0 1.0
CE2 A:CAS114 2.0 32.5 1.0
CE1 A:CAS114 2.0 26.6 1.0
SG A:CAS114 2.2 26.2 1.0
CB A:CAS114 3.2 25.8 1.0
CA A:CAS114 3.5 25.6 1.0
O A:GLN135 3.6 13.6 1.0
C A:CYS136 3.7 10.5 1.0
O A:CYS136 3.7 9.2 1.0
C A:GLN135 3.8 12.9 1.0
N A:CAS114 4.0 25.7 1.0
N A:GLU137 4.0 10.3 1.0
N A:CYS136 4.0 11.6 1.0
CA A:CYS136 4.1 11.0 1.0
O3 A:PO4228 4.1 35.6 1.0
CG A:GLN135 4.4 15.6 1.0
C A:PHE113 4.5 26.0 1.0
CA A:GLN135 4.6 13.7 1.0
CA A:GLU137 4.6 10.5 1.0
O A:PHE113 4.7 26.6 1.0
O A:GLY155 4.8 12.0 1.0
CB A:GLU137 4.8 11.6 1.0
C A:CAS114 4.9 26.2 1.0

Arsenic binding site 3 out of 4 in 3psz

Go back to Arsenic Binding Sites List in 3psz
Arsenic binding site 3 out of 4 in the Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As6

b:43.2
occ:1.00
AS B:CAS6 0.0 43.2 1.0
CE1 B:CAS6 2.0 45.6 1.0
CE2 B:CAS6 2.0 45.5 1.0
SG B:CAS6 2.2 29.9 1.0
CB B:CAS6 3.0 28.6 1.0
CA B:CAS6 4.5 25.4 1.0
CD1 B:ILE28 4.6 20.1 1.0
O1 B:PO4222 4.7 40.5 1.0
C B:CAS6 4.9 24.1 1.0
CD B:ARG26 4.9 21.8 1.0

Arsenic binding site 4 out of 4 in 3psz

Go back to Arsenic Binding Sites List in 3psz
Arsenic binding site 4 out of 4 in the Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As114

b:24.8
occ:1.00
AS B:CAS114 0.0 24.8 1.0
CE2 B:CAS114 2.0 32.7 1.0
CE1 B:CAS114 2.0 25.7 1.0
SG B:CAS114 2.2 24.3 1.0
CB B:CAS114 3.2 23.0 1.0
C B:CYS136 3.6 10.7 1.0
CA B:CAS114 3.6 21.9 1.0
O B:GLN135 3.7 14.0 1.0
O B:CYS136 3.7 10.4 1.0
N B:GLU137 3.8 10.8 1.0
C B:GLN135 3.8 12.8 1.0
N B:CYS136 3.9 11.3 1.0
CA B:CYS136 4.0 10.8 1.0
O1 B:PO4224 4.0 37.6 1.0
N B:CAS114 4.1 22.0 1.0
CA B:GLU137 4.5 10.6 1.0
CG B:GLN135 4.6 16.1 1.0
C B:PHE113 4.6 21.7 1.0
CA B:GLN135 4.6 13.6 1.0
CB B:GLU137 4.7 11.6 1.0
O B:PHE113 4.8 22.0 1.0
C B:CAS114 4.9 22.1 1.0
O B:GLY155 5.0 12.2 1.0

Reference:

X.Xiong, E.H.C.Bromley, P.Oelschlaeger, D.N.Woolfson, J.Spencer. Structural Insights Into Quinolone Antibiotic Resistance Mediated By Pentapeptide Repeat Proteins: Conserved Surface Loops Direct the Activity of A Qnr Protein From A Gram-Negative Bacterium Nucleic Acids Res. 2011.
ISSN: ESSN 1362-4962
PubMed: 21227918
DOI: 10.1093/NAR/GKQ1296
Page generated: Tue Oct 27 16:51:36 2020

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