Zinc in PDB 2m5d: Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid

All present enzymatic activity of Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid:
3.5.2.6;

The binding sites of Zinc atom in the Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid (pdb code 2m5d). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid, PDB code: 2m5d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:3.1 occ:1.00 HE2 A:HIS149 1.4 0.0 1.0 HE2 A:HIS86 1.6 0.0 1.0 NE2 A:HIS149 2.3 72.0 1.0 ND1 A:HIS88 2.4 74.2 1.0 NE2 A:HIS86 2.4 52.1 1.0 S1 A:RTD303 2.4 13.4 1.0 OD1 A:ASP90 2.8 72.4 1.0 HA A:RTD303 2.8 54.3 1.0 CD2 A:HIS86 3.1 42.4 1.0 HD2 A:HIS86 3.1 2.5 1.0 CD2 A:HIS149 3.1 31.2 1.0 HD2 A:HIS149 3.2 33.4 1.0 HB2 A:HIS88 3.3 0.0 1.0 CA A:RTD303 3.3 21.2 1.0 HB3 A:HIS88 3.3 72.5 1.0 CE1 A:HIS149 3.3 71.5 1.0 CG A:HIS88 3.3 43.3 1.0 SG A:CYS168 3.4 62.4 1.0 CE1 A:HIS88 3.4 62.5 1.0 HD2 A:ASP90 3.4 0.0 1.0 CB A:HIS88 3.5 24.3 1.0 CE1 A:HIS86 3.5 31.4 1.0 HE1 A:HIS149 3.6 55.5 1.0 ZN A:ZN302 3.6 61.1 1.0 HE1 A:HIS88 3.6 12.0 1.0 CG A:ASP90 3.7 53.2 1.0 HE A:ARG91 3.8 4.1 1.0 HE1 A:HIS86 3.9 34.0 1.0 OD2 A:ASP90 3.9 30.4 1.0 HG2 A:ARG91 4.0 0.0 1.0 O2 A:RTD303 4.0 44.4 1.0 C A:RTD303 4.2 55.0 1.0 HE2 A:HIS210 4.2 0.0 1.0 CG A:HIS149 4.3 53.2 1.0 CG A:HIS86 4.3 23.5 1.0 HG21 A:THR150 4.3 4.4 1.0 ND1 A:HIS149 4.4 1.2 1.0 HB2 A:CYS168 4.4 0.0 1.0 CB A:CYS168 4.4 62.2 1.0 HB3 A:CYS168 4.5 24.4 1.0 CB A:RTD303 4.5 32.0 1.0 CD2 A:HIS88 4.5 74.4 1.0 HG1 A:RTD303 4.5 22.0 1.0 ND1 A:HIS86 4.5 22.1 1.0 NE2 A:HIS88 4.5 14.2 1.0 HG3 A:ARG91 4.6 42.4 1.0 NE A:ARG91 4.6 13.3 1.0 HH21 A:ARG91 4.6 31.5 1.0 CG A:ARG91 4.7 32.0 1.0 H A:ASP90 4.8 23.1 1.0 HB3 A:ASP90 4.8 34.4 1.0 CB A:ASP90 4.9 72.5 1.0 CG1 A:RTD303 4.9 60.3 1.0

Zinc binding site 2 out of 2 in the Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Solution Structure of the Bacillus Cereus Metallo-Beta-Lactamase Bcii in Complex with R-Thiomandelic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:61.1 occ:1.00 HE2 A:HIS210 2.1 0.0 1.0 HD2 A:ASP90 2.1 0.0 1.0 OD2 A:ASP90 2.4 30.4 1.0 S1 A:RTD303 2.4 13.4 1.0 SG A:CYS168 2.4 62.4 1.0 NE2 A:HIS210 2.5 30.3 1.0 HH21 A:ARG91 2.5 31.5 1.0 HE1 A:HIS210 2.8 12.1 1.0 CE1 A:HIS210 2.9 1.2 1.0 CG A:ASP90 3.2 53.2 1.0 NH2 A:ARG91 3.5 12.4 1.0 CD2 A:HIS210 3.5 71.5 1.0 ZN A:ZN301 3.6 3.1 1.0 OD1 A:ASP90 3.7 72.4 1.0 HE A:ARG91 3.7 4.1 1.0 O2 A:RTD303 3.8 44.4 1.0 HE2 A:HIS86 3.8 0.0 1.0 HA3 A:GLY209 3.9 23.1 1.0 ND1 A:HIS210 3.9 40.0 1.0 HH22 A:ARG91 4.0 53.5 1.0 CA A:RTD303 4.0 21.2 1.0 CB A:CYS168 4.0 62.2 1.0 O A:GLY209 4.0 62.4 1.0 HD2 A:HIS210 4.1 30.3 1.0 HB3 A:CYS168 4.2 24.4 1.0 HB2 A:SER41 4.2 0.0 1.0 C A:RTD303 4.2 55.0 1.0 CB A:ASP90 4.3 72.5 1.0 HB2 A:ASP90 4.3 0.0 1.0 CG A:HIS210 4.3 54.4 1.0 HE1 A:HIS86 4.4 34.0 1.0 HA A:SER41 4.4 43.3 1.0 HB3 A:ASP90 4.4 34.4 1.0 CZ A:ARG91 4.4 51.2 1.0 NE A:ARG91 4.4 13.3 1.0 HE2 A:HIS149 4.5 0.0 1.0 C A:GLY209 4.5 22.1 1.0 CA A:GLY209 4.5 74.5 1.0 HA2 A:GLY209 4.5 32.2 1.0 HA A:CYS168 4.5 20.4 1.0 HG2 A:RTD303 4.6 43.4 1.0 HA A:RTD303 4.6 54.3 1.0 HD1 A:HIS210 4.6 53.2 1.0 NE2 A:HIS86 4.6 52.1 1.0 H A:CYS168 4.7 14.1 1.0 OG A:SER41 4.8 13.1 1.0 CA A:CYS168 4.8 40.2 1.0 HB2 A:CYS168 4.8 0.0 1.0 NE2 A:HIS149 4.8 72.0 1.0 CB A:SER41 4.9 33.1 1.0 CE1 A:HIS86 4.9 31.4 1.0 HH2 A:TRP59 4.9 54.2 1.0 N A:CYS168 4.9 54.3 1.0 CB A:RTD303 5.0 32.0 1.0

A.I.Karsisiotis, C.F.Damblon, G.C.K.Roberts. Solution Structures of the Bacillus Cereus Metallo-Beta-Lactamase Bcii and Its Complex with the Broad Spectrum Inhibitor R-Thiomandelic Acid Biochem.J. 2013.
ISSN: ESSN 1470-8728
PubMed: 24059435
DOI: 10.1042/BJ20131003