Calcium 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

Protein crystallography data

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

Other elements in 4ax0:

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:

Zinc (Zn) 2 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 2 in 4ax0

Go back to Calcium Binding Sites List in 4ax0
Calcium 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 Calcium with other atoms in the Ca 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:Ca3230

b:19.0
occ:0.85
O B:HOH2365 2.8 20.8 1.0
OG B:SER221 3.0 15.1 1.0
N B:HIS263 3.2 10.7 1.0
O B:HOH2260 3.6 14.4 1.0
CD B:PRO262 3.7 13.7 1.0
CB B:HIS263 3.7 12.4 1.0
CB B:SER221 3.8 14.0 1.0
CB B:ALA266 3.8 16.2 1.0
N B:PRO262 3.8 12.4 1.0
CA B:SER221 3.8 12.2 1.0
CD2 B:HIS263 3.8 13.2 1.0
CB B:THR261 3.8 12.3 1.0
OH B:TYR293 3.9 15.8 1.0
CA B:HIS263 4.0 12.1 1.0
O B:HIS263 4.0 13.2 1.0
CB B:PRO262 4.1 12.4 1.0
CG B:HIS263 4.1 14.8 1.0
C B:PRO262 4.2 12.6 1.0
CA B:PRO262 4.2 11.6 1.0
N B:SER221 4.3 12.9 1.0
CG B:PRO262 4.3 13.1 1.0
C B:THR261 4.3 11.9 1.0
OG1 B:THR261 4.4 13.9 1.0
C B:HIS263 4.5 12.3 1.0
CA B:THR261 4.6 11.2 1.0
CG2 B:THR261 4.6 12.4 1.0
O B:HOH2262 4.7 20.3 1.0
O B:HOH2128 4.7 13.3 0.7
C B:ASP220 4.9 12.3 1.0
CZ B:TYR293 5.0 12.2 1.0

Calcium binding site 2 out of 2 in 4ax0

Go back to Calcium Binding Sites List in 4ax0
Calcium 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 Calcium with other atoms in the Ca 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:Ca3232

b:20.1
occ:0.50
O B:HOH2242 2.4 23.1 1.0
O B:HOH2366 2.4 29.1 1.0
O B:HOH2244 2.5 18.4 1.0
O B:HOH2246 2.5 24.0 1.0
O B:HOH2243 4.2 50.8 1.0
OD2 B:ASP257 4.3 16.2 1.0
OD2 B:ASP255 4.5 28.0 1.0
NH2 B:ARG206 4.5 30.3 1.0
OD1 B:ASP255 4.5 28.1 1.0
OD1 B:ASP257 4.5 20.1 1.0
NH1 B:ARG206 4.6 25.6 1.0
O B:HOH2302 4.7 29.5 1.0
CG B:ASP257 4.9 15.3 1.0
CG B:ASP255 5.0 22.4 1.0

Reference:

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
Page generated: Sat Dec 12 04:40:00 2020

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