Chlorine 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:

Mercury

(Hg)

4 atoms

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

Chlorine binding site 1 out of 2 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure and Function of Carbonic Anhydrases within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl263 b:17.6 occ:1.00 HG A:HG261 2.5 11.0 1.0 N A:THR199 3.7 7.1 1.0 OG1 A:THR199 3.7 6.3 1.0 NE2 A:HIS94 3.7 7.6 1.0 ND1 A:HIS119 3.8 2.8 1.0 CE1 A:HIS94 4.0 6.8 1.0 CD2 A:LEU198 4.1 8.6 1.0 CA A:LEU198 4.2 7.2 1.0 CE1 A:HIS119 4.4 2.4 1.0 CD2 A:HIS200 4.4 12.7 1.0 NE2 A:HIS200 4.4 13.0 1.0 C A:LEU198 4.5 7.3 1.0 CB A:THR199 4.6 7.3 1.0 CB A:LEU198 4.6 7.7 1.0 CH2 A:TRP209 4.6 4.6 1.0 NE2 A:HIS96 4.6 7.0 1.0 CA A:THR199 4.6 7.4 1.0 CZ2 A:TRP209 4.7 4.7 1.0 CG2 A:THR199 4.8 7.0 1.0 CG A:HIS119 4.9 2.8 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure and Function of Carbonic Anhydrases within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl265 b:18.5 occ:0.87 HG A:HG264 2.4 25.2 0.6 HG A:HG262 2.4 23.0 0.8 CG1 A:ILE47 3.3 23.3 1.0 O A:LEU189 3.4 18.1 1.0 C A:LEU189 3.6 18.6 1.0 CD1 A:PHE191 3.8 11.2 1.0 CA A:LEU189 3.9 19.6 1.0 O A:SER188 4.0 19.5 1.0 CD2 A:LEU189 4.1 22.6 1.0 O A:ASP190 4.1 13.9 1.0 O A:HOH428 4.1 21.7 1.0 CB A:PHE191 4.2 10.7 1.0 N A:ASP190 4.2 16.8 1.0 O A:HOH478 4.3 46.8 0.9 CG A:PHE191 4.3 11.4 1.0 CD1 A:ILE47 4.3 23.8 1.0 C A:ASP190 4.4 14.3 1.0 CG2 A:ILE47 4.4 22.1 1.0 CB A:ILE47 4.5 22.4 1.0 CE1 A:PHE191 4.6 11.9 1.0 CG2 A:ILE210 4.7 8.0 1.0 SG A:CYS212 4.8 16.5 1.0 S A:H2S266 4.8 28.7 0.3 CA A:ASP190 4.8 16.1 1.0 C A:SER188 4.8 20.0 1.0 N A:LEU189 4.8 20.0 1.0 N A:PHE191 4.9 12.7 1.0 CB A:LEU189 4.9 21.5 1.0

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