Magnesium 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:

Calcium	(Ca)	3 atoms
Zinc	(Zn)	6 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 3 binding sites of Magnesium 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 Magnesium binding site number: 1; 2; 3;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg3229 b:10.4 occ:1.00 O A:HOH4326 2.0 19.2 1.0 O A:HOH4282 2.2 19.9 1.0 O A:HOH4293 2.2 25.3 1.0 O A:HOH4283 2.4 22.9 1.0 O A:ARG276 2.4 11.7 1.0 O A:HOH4284 2.4 20.3 1.0 OD1 A:ASN271 2.5 14.0 1.0 O A:HOH4327 2.6 25.7 1.0 CG A:ASN271 3.5 12.4 1.0 C A:ARG276 3.6 11.0 1.0 CB A:ARG276 4.0 12.0 1.0 O B:HOH4208 4.2 21.9 1.0 CB A:ASN271 4.3 10.3 1.0 CA A:ARG276 4.3 11.9 1.0 CA A:ASN271 4.3 10.0 1.0 N A:ALA281 4.4 11.2 1.0 CB A:ALA281 4.4 10.6 1.0 ND2 A:ASN271 4.5 14.3 1.0 O A:HOH4147 4.5 17.2 1.0 O B:SER265 4.5 12.9 1.0 O A:TRP270 4.5 10.7 1.0 N A:ALA277 4.6 9.5 1.0 C A:ALA277 4.7 9.6 1.0 O A:HOH4286 4.7 26.7 1.0 CA A:ALA277 4.7 9.5 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg3229 b:11.6 occ:1.00 O B:HOH4118 2.9 13.2 1.0 O B:HOH4174 3.1 8.3 1.0 CD2 B:PHE228 3.7 7.7 1.0 CD2 B:HIS236 3.7 7.8 1.0 CG B:ARG153 3.9 10.5 1.0 NE B:ARG153 4.0 9.1 1.0 CE2 B:PHE228 4.0 5.9 1.0 CD B:ARG153 4.1 9.8 1.0 CB B:ALA235 4.1 7.1 1.0 O B:ARG153 4.1 9.4 1.0 O B:HOH4181 4.1 14.2 1.0 O B:ALA235 4.4 9.3 1.0 NE2 B:HIS236 4.5 8.7 1.0 CZ B:ARG153 4.7 9.6 1.0 CG B:PHE228 4.7 8.1 1.0 CG B:HIS236 4.8 7.8 1.0 C B:ALA235 4.9 8.5 1.0 O B:HOH4120 5.0 21.7 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg3229 b:11.4 occ:1.00 O C:HOH4127 2.2 18.7 1.0 O C:ILE171 2.3 9.7 1.0 O C:HOH4128 2.4 23.2 1.0 O C:HOH4130 2.8 12.9 1.0 C C:ILE171 3.5 10.3 1.0 OD1 C:ASN170 3.9 20.5 1.0 CA C:VAL172 4.2 9.9 1.0 N C:ILE171 4.3 10.4 1.0 N C:VAL172 4.3 9.4 1.0 O C:HOH4104 4.4 10.4 1.0 CA C:ILE171 4.5 9.4 1.0 CG2 C:VAL172 4.7 13.3 1.0 CB C:VAL172 5.0 10.1 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