Zinc in PDB 4ax1: Q157N 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 Q157N 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: 4ax1 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 / 1.40
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.992, 77.992, 239.766, 90.00, 90.00, 120.00
R / Rfree (%)	13 / 15

The structure of Q157N 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:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Zinc atom in the Q157N 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 4ax1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Q157N 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: 4ax1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Q157N 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 Q157N 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:11.1 occ:1.00 O B:HOH2149 1.9 15.8 1.0 NE2 B:HIS196 2.0 9.2 1.0 NE2 B:HIS116 2.1 9.2 1.0 ND1 B:HIS118 2.1 11.4 1.0 CD2 B:HIS196 2.9 9.3 1.0 CD2 B:HIS116 3.0 8.9 1.0 O B:HOH2150 3.0 14.1 1.0 CE1 B:HIS118 3.0 11.0 1.0 CE1 B:HIS116 3.0 11.3 1.0 CG B:HIS118 3.1 10.8 1.0 CE1 B:HIS196 3.1 10.3 1.0 ZN B:ZN3229 3.5 12.8 1.0 CB B:HIS118 3.5 10.1 1.0 O B:HOH2408 3.9 38.1 1.0 ND1 B:HIS116 4.1 10.5 1.0 CD2 B:HIS121 4.1 10.7 1.0 CG B:HIS116 4.1 9.4 1.0 OD1 B:ASP120 4.1 11.7 1.0 CG B:HIS196 4.1 10.1 1.0 NE2 B:HIS118 4.2 11.4 1.0 ND1 B:HIS196 4.2 11.3 1.0 NE2 B:HIS121 4.2 9.5 1.0 CD2 B:HIS118 4.3 11.5 1.0 O B:HOH2163 4.4 30.9 1.0 OG B:SER221 4.8 10.7 1.0 OD2 B:ASP120 4.8 12.3 1.0 O B:HOH2293 4.8 17.9 1.0 CG B:ASP120 4.9 11.2 1.0 CB B:SER221 4.9 9.4 1.0 CG2 B:THR197 5.0 13.7 1.0 CA B:HIS118 5.0 9.8 1.0

Zinc binding site 2 out of 2 in the Q157N 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 Q157N 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:12.8 occ:1.00 O B:HOH2149 2.0 15.8 1.0 NE2 B:HIS263 2.0 9.3 1.0 NE2 B:HIS121 2.0 9.5 1.0 OD2 B:ASP120 2.1 12.3 1.0 O B:HOH2150 2.3 14.1 1.0 CG B:ASP120 3.0 11.2 1.0 CD2 B:HIS121 3.0 10.7 1.0 CD2 B:HIS263 3.0 9.9 1.0 CE1 B:HIS121 3.0 10.1 1.0 CE1 B:HIS263 3.1 11.4 1.0 OD1 B:ASP120 3.3 11.7 1.0 ZN B:ZN3228 3.5 11.1 1.0 O B:HOH2408 3.6 38.1 1.0 ND1 B:HIS121 4.1 11.2 1.0 ND1 B:HIS263 4.1 10.6 1.0 NE2 B:HIS116 4.1 9.2 1.0 CG B:HIS121 4.2 9.9 1.0 CG B:HIS263 4.2 10.3 1.0 O B:HOH2293 4.3 17.9 1.0 CE1 B:HIS116 4.3 11.3 1.0 CB B:ASP120 4.3 12.3 1.0 O B:HOH2143 4.5 44.1 1.0 OG B:SER221 4.5 10.7 1.0 O B:HOH2163 4.7 30.9 1.0 CD1 B:ILE68 4.8 12.6 1.0 NE2 B:HIS196 4.8 9.2 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