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Sodium in PDB 6ol8: Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin

Protein crystallography data

The structure of Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin, PDB code: 6ol8 was solved by J.E.Raczynska, B.Imiolczyk, M.Jaskolski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.65 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.469, 76.449, 130.906, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 22.7

Other elements in 6ol8:

The structure of Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms
Zinc (Zn) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin (pdb code 6ol8). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin, PDB code: 6ol8:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 6ol8

Go back to Sodium Binding Sites List in 6ol8
Sodium binding site 1 out of 2 in the Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na307

b:48.0
occ:1.00
OD2 A:ASP223 1.9 48.6 1.0
OE2 A:GLU152 2.3 39.2 1.0
CG A:ASP223 2.7 43.2 1.0
OE1 A:GLU152 2.9 35.8 1.0
CD A:GLU152 2.9 38.0 1.0
OD1 A:ASP223 3.0 48.4 1.0
NE2 A:HIS122 3.8 27.2 1.0
CB A:ASP223 4.2 37.4 1.0
O A:HOH490 4.3 34.8 1.0
CG A:GLU152 4.4 38.8 1.0
CD2 A:HIS122 4.5 26.3 1.0
CE1 A:HIS122 4.9 29.1 1.0

Sodium binding site 2 out of 2 in 6ol8

Go back to Sodium Binding Sites List in 6ol8
Sodium binding site 2 out of 2 in the Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Ndm-12 Metallo-Beta-Lactamase in Complex with Hydrolyzed Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na304

b:21.7
occ:1.00
O B:HOH450 1.9 33.2 1.0
OD2 B:ASP223 1.9 42.5 1.0
OE2 B:GLU152 2.3 43.2 1.0
OE1 B:GLU152 2.5 34.6 1.0
CG B:ASP223 2.7 44.9 1.0
CD B:GLU152 2.8 35.5 1.0
OD1 B:ASP223 2.9 39.8 1.0
NE2 B:HIS122 4.0 25.6 1.0
O B:HOH468 4.1 29.6 1.0
CB B:ASP223 4.2 40.3 1.0
CG B:GLU152 4.2 35.0 1.0
CD2 B:HIS122 4.6 25.8 1.0

Reference:

J.E.Raczynska, J.Sliwiak, M.Komorowska, J.Czyrko, B.Imiolczyk, K.Brzezinski, M.Jaskolski. Flexible Loop of New Delhi Metall-Beta-Lactamase Modulates Its Activity Towards Different Substrates To Be Published.
Page generated: Tue Oct 8 12:32:43 2024

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