Nickel in PDB 3x30: Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima

The structure of Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima, PDB code: 3x30 was solved by H.J.Choi, H.J.Kim, A.Matsuura, B.Mikami, H.J.Yoon, H.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.50 / 1.92
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.727, 98.727, 45.255, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 18.2

The structure of Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Nickel atom in the Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima (pdb code 3x30). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima, PDB code: 3x30:

Nickel binding site 1 out of 1 in the Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:17.0 occ:1.00 OD2 A:ASP141 2.1 16.0 1.0 NE2 A:HIS108 2.1 15.5 1.0 ND1 A:HIS50 2.2 16.1 1.0 NE2 A:HIS48 2.2 14.2 1.0 O A:HOH524 2.2 18.7 1.0 O A:HOH525 2.2 17.8 1.0 CE1 A:HIS50 3.1 16.0 1.0 CE1 A:HIS108 3.1 16.3 1.0 CD2 A:HIS48 3.1 12.6 1.0 CD2 A:HIS108 3.1 13.3 1.0 CG A:ASP141 3.2 17.8 1.0 CG A:HIS50 3.2 16.7 1.0 CE1 A:HIS48 3.2 17.7 1.0 MN A:MN301 3.4 24.8 1.0 CB A:ASP141 3.5 15.2 1.0 CB A:HIS50 3.6 14.4 1.0 O A:HOH557 3.9 19.3 1.0 O A:HOH556 3.9 31.4 1.0 NE2 A:HIS53 4.1 17.7 1.0 CD2 A:HIS53 4.2 14.7 1.0 NE2 A:HIS50 4.2 16.1 1.0 ND1 A:HIS108 4.2 15.2 1.0 CG A:HIS108 4.2 15.3 1.0 CG A:HIS48 4.3 14.8 1.0 CD2 A:HIS50 4.3 15.2 1.0 OD1 A:ASP141 4.3 18.3 1.0 ND1 A:HIS48 4.3 13.9 1.0 OD1 A:ASP52 4.6 20.4 1.0 OD2 A:ASP52 5.0 21.3 1.0

H.J.Choi, H.J.Kim, A.Matsuura, B.Mikami, H.J.Yoon, H.H.Lee. Crystal Structure of Metallo-Beta-Lactamase From Thermotoga Maritima To Be Published.