Manganese in PDB 3x2x: Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima

The structure of Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima, PDB code: 3x2x 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)	47.06 / 3.42
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	143.164, 143.164, 149.472, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.9

The binding sites of Manganese atom in the Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima (pdb code 3x2x). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima, PDB code: 3x2x:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:48.5 occ:1.00 ND1 A:HIS50 3.3 25.7 1.0 OD2 A:ASP52 3.7 25.4 1.0 OD1 A:ASP52 3.8 26.3 1.0 CE1 A:HIS50 3.9 25.9 1.0 CG A:ASP52 4.1 25.9 1.0 CE1 A:HIS108 4.1 32.9 1.0 CG A:HIS50 4.1 25.2 1.0 CD1 A:PHE167 4.4 26.5 1.0 CB A:HIS50 4.5 25.1 1.0 OD2 A:ASP141 4.5 28.5 1.0 CG B:TYR72 4.7 35.6 1.0 CG A:PHE167 4.7 26.4 1.0 CE1 A:PHE167 4.7 26.2 1.0 CD1 B:TYR72 4.8 36.4 1.0 CD2 B:TYR72 4.9 38.0 1.0 NE2 A:HIS50 4.9 25.3 1.0 CB B:TYR72 4.9 33.2 1.0 ND1 A:HIS108 5.0 32.0 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:57.1 occ:1.00 O B:HOH404 2.4 6.5 1.0 OD2 B:ASP52 3.4 33.2 1.0 OD1 B:ASP52 3.4 35.3 1.0 ND1 B:HIS50 3.4 33.7 1.0 CG B:ASP52 3.7 34.2 1.0 OD2 B:ASP141 4.1 24.3 1.0 CE1 B:HIS50 4.1 33.2 1.0 NE2 B:HIS108 4.3 37.9 1.0 CD1 B:PHE167 4.4 33.1 1.0 CG B:HIS50 4.5 33.0 1.0 CG B:PHE167 4.5 32.5 1.0 CB B:HIS50 4.7 32.8 1.0 CB B:PHE167 4.8 31.2 1.0 CH2 B:TRP194 4.8 73.8 1.0 CE1 B:PHE167 4.8 33.3 1.0 CE1 B:HIS108 4.8 38.0 1.0 CD2 B:PHE167 4.9 33.3 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:53.6 occ:1.00 O C:HOH404 2.7 2.0 1.0 ND1 C:HIS50 3.4 30.8 1.0 OD1 C:ASP52 3.7 33.8 1.0 CE1 C:HIS108 4.0 24.3 1.0 CE1 C:HIS50 4.0 30.2 1.0 OD2 C:ASP52 4.1 31.6 1.0 OD2 C:ASP141 4.2 30.8 1.0 CG C:HIS50 4.2 30.6 1.0 CG C:ASP52 4.2 32.1 1.0 CD1 C:PHE167 4.4 31.9 1.0 CG C:PHE167 4.5 31.4 1.0 NE2 C:HIS108 4.5 25.1 1.0 CB C:HIS50 4.5 30.3 1.0 CG A:TYR72 4.7 38.1 1.0 CE1 C:PHE167 4.7 31.4 1.0 CB C:PHE167 4.8 29.8 1.0 CD2 A:TYR72 4.9 41.0 1.0 CD2 C:PHE167 4.9 32.6 1.0 CB A:TYR72 4.9 34.1 1.0 CD1 A:TYR72 4.9 39.5 1.0

H.J.Choi, H.J.Kim, A.Matsuura, B.Mikami, H.J.Yoon, H.H.Lee. Crystal Structure of Metallo-Beta-Lactamase H48A From Thermotoga Maritima To Be Published.