Mercury in PDB 1crm: Structure and Function of Carbonic Anhydrases

All present enzymatic activity of Structure and Function of Carbonic Anhydrases:
4.2.1.1;

The structure of Structure and Function of Carbonic Anhydrases, PDB code: 1crm was solved by V.S.Yadava, K.K.Kannan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.850, 75.310, 37.759, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Structure and Function of Carbonic Anhydrases also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Mercury atom in the Structure and Function of Carbonic Anhydrases (pdb code 1crm). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Structure and Function of Carbonic Anhydrases, PDB code: 1crm:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure and Function of Carbonic Anhydrases within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg261 b:11.0 occ:1.00 ND1 A:HIS119 2.2 2.8 1.0 NE2 A:HIS94 2.3 7.6 1.0 NE2 A:HIS96 2.4 7.0 1.0 CL A:CL263 2.5 17.6 1.0 CE1 A:HIS119 3.0 2.4 1.0 CD2 A:HIS94 3.2 7.3 1.0 CE1 A:HIS96 3.3 6.6 1.0 CE1 A:HIS94 3.3 6.8 1.0 CD2 A:HIS96 3.4 6.2 1.0 CG A:HIS119 3.4 2.8 1.0 OG1 A:THR199 3.6 6.3 1.0 CB A:HIS119 3.9 2.9 1.0 NE2 A:HIS119 4.1 2.9 1.0 OE1 A:GLU106 4.2 7.9 1.0 CD2 A:HIS119 4.4 2.6 1.0 ND1 A:HIS94 4.4 7.2 1.0 CG A:HIS94 4.4 7.0 1.0 ND1 A:HIS96 4.5 6.6 1.0 CG A:HIS96 4.5 5.8 1.0 CD2 A:HIS200 4.6 12.7 1.0 O A:HOH277 4.8 8.2 1.0 NE2 A:HIS200 4.8 13.0 1.0 CB A:THR199 4.9 7.3 1.0 O A:HOH268 4.9 6.4 1.0 CH2 A:TRP209 5.0 4.6 1.0

Mercury binding site 2 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure and Function of Carbonic Anhydrases within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg262 b:23.0 occ:0.83 HG A:HG264 1.6 25.2 0.6 SG A:CYS212 2.4 16.5 1.0 CL A:CL265 2.4 18.5 0.9 S A:H2S266 3.2 28.7 0.3 CB A:CYS212 3.4 13.1 1.0 O A:HOH428 3.5 21.7 1.0 CA A:CYS212 3.7 11.9 1.0 O A:SER188 4.2 19.5 1.0 N A:CYS212 4.3 10.9 1.0 O A:ASP190 4.4 13.9 1.0 CG2 A:ILE144 4.5 5.7 1.0 CG2 A:ILE210 4.7 8.0 1.0 CB A:PHE191 4.8 10.7 1.0 CG A:PRO186 4.9 15.7 1.0 CG1 A:ILE47 5.0 23.3 1.0 O A:HOH478 5.0 46.8 0.9

Mercury binding site 3 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure and Function of Carbonic Anhydrases within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg264 b:25.2 occ:0.59 HG A:HG262 1.6 23.0 0.8 S A:H2S266 2.4 28.7 0.3 CL A:CL265 2.4 18.5 0.9 O A:SER188 3.1 19.5 1.0 SG A:CYS212 3.2 16.5 1.0 O A:ASP190 3.2 13.9 1.0 CB A:CYS212 3.5 13.1 1.0 O A:HOH428 3.5 21.7 1.0 CA A:CYS212 3.6 11.9 1.0 C A:SER188 3.9 20.0 1.0 C A:ASP190 4.1 14.3 1.0 N A:ASP190 4.2 16.8 1.0 C A:LEU189 4.2 18.6 1.0 CA A:LEU189 4.3 19.6 1.0 N A:LYS213 4.4 11.8 1.0 N A:LEU189 4.5 20.0 1.0 C A:CYS212 4.6 12.0 1.0 CG A:PRO186 4.6 15.7 1.0 CB A:PHE191 4.6 10.7 1.0 N A:CYS212 4.7 10.9 1.0 O A:LEU189 4.7 18.1 1.0 OG A:SER188 4.7 21.9 1.0 CA A:ASP190 4.8 16.1 1.0 CB A:SER188 4.8 21.2 1.0 CA A:SER188 4.9 20.6 1.0 N A:PHE191 4.9 12.7 1.0

Mercury binding site 4 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure and Function of Carbonic Anhydrases within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg267 b:38.5 occ:0.25 OG A:SER99 3.4 13.3 1.0 N A:SER99 3.6 9.3 1.0 O A:HOH415 3.7 13.9 1.0 ND1 A:HIS243 3.8 15.3 1.0 ND2 A:ASN245 3.9 7.7 1.0 CB A:HIS243 4.0 12.7 1.0 O A:HOH460 4.0 23.7 0.8 CG A:HIS243 4.1 13.8 1.0 CA A:GLY98 4.2 8.1 1.0 CB A:SER99 4.2 11.5 1.0 C A:GLY98 4.4 8.4 1.0 CA A:SER99 4.6 10.8 1.0 CE1 A:HIS243 4.7 15.1 1.0 O A:HIS103 4.8 12.0 1.0 CG A:ASN245 4.9 9.1 1.0 OD1 A:ASN245 4.9 10.8 1.0

K.K.Kannan, V.S.Yadava, K.K.Kannan. N/A N/A.