Zinc in PDB 4ax0: Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157

The structure of Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157, PDB code: 4ax0 was solved by H.-K.S.Leiros, P.S.Borra, B.O.Brandsdal, K.S.W.Edvardsen, J.Spencer, T.R.Walsh, O.Samuelsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.74
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	78.035, 78.035, 239.482, 90.00, 90.00, 120.00
R / Rfree (%)	12.1 / 15.9

The structure of Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157 (pdb code 4ax0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157, PDB code: 4ax0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn3228 b:15.8 occ:1.00 O B:HOH2129 2.0 18.8 1.0 NE2 B:HIS196 2.0 14.5 1.0 NE2 B:HIS116 2.1 11.5 1.0 ND1 B:HIS118 2.1 13.4 1.0 CD2 B:HIS196 2.9 14.1 1.0 O B:HOH2128 3.0 13.3 0.7 CD2 B:HIS116 3.0 11.8 1.0 CE1 B:HIS116 3.0 13.6 1.0 CE1 B:HIS118 3.0 14.9 1.0 CE1 B:HIS196 3.1 15.0 1.0 CG B:HIS118 3.1 12.8 1.0 O B:HOH2364 3.3 42.1 1.0 ZN B:ZN3229 3.5 16.1 1.0 CB B:HIS118 3.5 13.0 1.0 CD2 B:HIS121 4.1 14.1 1.0 ND1 B:HIS116 4.1 15.4 1.0 CG B:HIS196 4.1 13.8 1.0 CG B:HIS116 4.1 13.8 1.0 OD1 B:ASP120 4.1 16.5 1.0 NE2 B:HIS118 4.2 15.5 1.0 ND1 B:HIS196 4.2 14.3 1.0 NE2 B:HIS121 4.2 13.1 1.0 CD2 B:HIS118 4.3 14.1 1.0 O B:HOH2141 4.5 39.4 1.0 OD2 B:ASP120 4.8 15.1 1.0 OG B:SER221 4.8 15.1 1.0 CG2 B:THR197 4.8 17.9 1.0 O B:HOH2262 4.9 20.3 1.0 CG B:ASP120 4.9 16.0 1.0 CB B:SER221 4.9 14.0 1.0 CA B:HIS118 5.0 13.8 1.0

Zinc binding site 2 out of 2 in the Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Q157A Mutant. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn3229 b:16.1 occ:1.00 O B:HOH2129 1.9 18.8 1.0 NE2 B:HIS263 2.0 12.5 1.0 NE2 B:HIS121 2.0 13.1 1.0 OD2 B:ASP120 2.1 15.1 1.0 O B:HOH2128 2.3 13.3 0.7 CD2 B:HIS263 3.0 13.2 1.0 CG B:ASP120 3.0 16.0 1.0 CD2 B:HIS121 3.0 14.1 1.0 CE1 B:HIS263 3.0 14.1 1.0 CE1 B:HIS121 3.0 13.4 1.0 OD1 B:ASP120 3.3 16.5 1.0 ZN B:ZN3228 3.5 15.8 1.0 O B:HOH2364 3.7 42.1 1.0 ND1 B:HIS263 4.1 14.8 1.0 CG B:HIS263 4.1 14.8 1.0 ND1 B:HIS121 4.1 11.9 1.0 CG B:HIS121 4.1 12.9 1.0 NE2 B:HIS116 4.2 11.5 1.0 O B:HOH2262 4.2 20.3 1.0 CE1 B:HIS116 4.3 13.6 1.0 CB B:ASP120 4.3 15.4 1.0 O B:HOH2122 4.4 53.3 1.0 OG B:SER221 4.5 15.1 1.0 O B:HOH2141 4.6 39.4 1.0 CD1 B:ILE68 4.8 15.9 1.0 NE2 B:HIS196 4.8 14.5 1.0

H.-K.S.Leiros, P.S.Borra, B.O.Brandsdal, K.S.W.Edvardsen, J.Spencer, T.R.Walsh, O.Samuelsen. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157 Antimicrob.Agents Chemother. V. 56 4341 2012.
ISSN: ISSN 0066-4804
PubMed: 22664968
DOI: 10.1128/AAC.00448-12