Calcium in PDB 4awz: Aim-1-3MOL. 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 Aim-1-3MOL. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157, PDB code: 4awz 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)	20.00 / 1.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	79.474, 79.474, 229.266, 90.00, 90.00, 120.00
R / Rfree (%)	13.875 / 17.259

The structure of Aim-1-3MOL. 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)	3 atoms
Zinc	(Zn)	6 atoms

The binding sites of Calcium atom in the Aim-1-3MOL. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157 (pdb code 4awz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Aim-1-3MOL. Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 From Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of GLN157, PDB code: 4awz:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Aim-1-3MOL. 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 Calcium with other atoms in the Ca binding site number 1 of Aim-1-3MOL. 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 A:Ca3228 b:12.1 occ:0.85 O A:HOH4325 2.8 12.7 1.0 OG A:SER221 3.0 7.3 1.0 N A:HIS263 3.2 6.6 1.0 CD A:PRO262 3.5 7.5 1.0 O A:HOH4239 3.6 10.2 1.0 N A:PRO262 3.7 7.1 1.0 CB A:HIS263 3.7 4.9 1.0 CA A:SER221 3.7 6.2 1.0 CB A:SER221 3.8 7.2 1.0 CB A:ALA266 3.8 9.9 1.0 CD2 A:HIS263 3.8 8.1 1.0 OH A:TYR293 3.8 7.4 1.0 CB A:THR261 3.9 7.9 1.0 CA A:HIS263 4.0 5.8 1.0 O A:HIS263 4.1 6.9 1.0 CB A:PRO262 4.1 6.1 1.0 CG A:HIS263 4.1 5.0 1.0 N A:SER221 4.2 7.0 1.0 C A:PRO262 4.2 5.6 1.0 CA A:PRO262 4.2 6.2 1.0 CG A:PRO262 4.2 6.4 1.0 C A:THR261 4.3 7.1 1.0 OG1 A:THR261 4.4 8.6 1.0 C A:HIS263 4.5 7.8 1.0 CA A:THR261 4.6 7.3 1.0 O A:HOH4241 4.7 7.8 1.0 CG2 A:THR261 4.7 6.9 1.0 O A:HOH4119 4.8 12.4 1.0 C A:ASP220 4.9 6.7 1.0 CZ A:TYR293 5.0 7.1 1.0 O A:ASP220 5.0 6.6 1.0

Calcium binding site 2 out of 3 in the Aim-1-3MOL. 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 Calcium with other atoms in the Ca binding site number 2 of Aim-1-3MOL. 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:Ca3228 b:12.0 occ:0.85 O B:HOH4243 2.9 16.2 1.0 OG B:SER221 2.9 8.0 1.0 N B:HIS263 3.2 7.4 1.0 CD B:PRO262 3.5 6.9 1.0 CB B:ALA266 3.7 11.7 1.0 CD2 B:HIS263 3.7 10.4 1.0 CB B:SER221 3.7 9.3 1.0 N B:PRO262 3.7 6.8 1.0 CA B:SER221 3.7 7.8 1.0 CB B:THR261 3.8 5.7 1.0 CB B:HIS263 3.8 7.0 1.0 O B:HOH4167 3.9 8.7 1.0 OH B:TYR293 4.0 8.9 1.0 CB B:PRO262 4.0 6.8 1.0 CA B:HIS263 4.0 7.2 1.0 O B:HIS263 4.1 7.5 1.0 CG B:HIS263 4.1 10.0 1.0 N B:SER221 4.1 7.9 1.0 C B:PRO262 4.2 7.0 1.0 CA B:PRO262 4.2 7.0 1.0 CG B:PRO262 4.2 6.2 1.0 C B:THR261 4.3 6.4 1.0 OG1 B:THR261 4.3 7.1 1.0 CG2 B:THR261 4.6 7.9 1.0 C B:HIS263 4.6 6.9 1.0 CA B:THR261 4.6 6.7 1.0 O B:HOH4081 4.7 8.1 1.0 C B:ASP220 4.9 7.7 1.0 O B:HOH4169 4.9 10.5 1.0

Calcium binding site 3 out of 3 in the Aim-1-3MOL. 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 Calcium with other atoms in the Ca binding site number 3 of Aim-1-3MOL. 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 C:Ca3228 b:12.4 occ:0.85 OG C:SER221 2.9 9.7 1.0 O C:HOH4229 2.9 18.7 1.0 N C:HIS263 3.2 7.4 1.0 O C:HOH4159 3.5 10.1 1.0 CD C:PRO262 3.6 6.8 1.0 CB C:ALA266 3.7 13.4 1.0 CB C:SER221 3.7 8.1 1.0 CA C:SER221 3.7 8.3 1.0 N C:PRO262 3.8 6.6 1.0 CB C:HIS263 3.8 8.0 1.0 CD2 C:HIS263 3.8 8.9 1.0 CB C:THR261 3.8 9.0 1.0 OH C:TYR293 3.9 11.8 1.0 CA C:HIS263 4.0 7.8 1.0 O C:HIS263 4.0 9.8 1.0 CG C:HIS263 4.1 7.9 1.0 N C:SER221 4.2 8.2 1.0 CB C:PRO262 4.2 6.5 1.0 C C:PRO262 4.2 7.3 1.0 CA C:PRO262 4.2 7.2 1.0 CG C:PRO262 4.3 5.8 1.0 C C:THR261 4.3 8.1 1.0 OG1 C:THR261 4.3 10.4 1.0 C C:HIS263 4.5 8.8 1.0 CA C:THR261 4.6 8.0 1.0 CG2 C:THR261 4.6 7.5 1.0 O C:HOH4071 4.7 10.6 1.0 C C:ASP220 4.9 9.7 1.0 O C:HOH4161 4.9 12.9 1.0 O C:THR261 5.0 7.9 1.0 C C:SER221 5.0 8.9 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