Cobalt in PDB 1fsq: X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant

All present enzymatic activity of X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant:
4.2.1.1;

The structure of X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant, PDB code: 1fsq was solved by J.D.Cox, J.A.Hunt, K.M.Compher, C.A.Fierke, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.240, 43.530, 67.140, 86.90, 90.10, 75.40
R / Rfree (%)	21.7 / 25

The binding sites of Cobalt atom in the X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant (pdb code 1fsq). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant, PDB code: 1fsq:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Co262 b:22.1 occ:1.00 NE2 A:HIS96 2.1 11.1 1.0 NE2 A:HIS94 2.1 11.3 1.0 O A:HOH402 2.2 35.1 1.0 ND1 A:HIS119 2.2 8.5 1.0 O A:HOH403 2.3 24.6 1.0 CD2 A:HIS94 2.9 10.3 1.0 CD2 A:HIS96 3.1 7.1 1.0 CE1 A:HIS96 3.1 7.7 1.0 CE1 A:HIS119 3.2 7.3 1.0 CG A:HIS119 3.3 9.7 1.0 CE1 A:HIS94 3.3 14.8 1.0 CB A:HIS119 3.6 8.3 1.0 OG1 A:THR199 3.7 16.2 1.0 OE1 A:GLU106 4.0 7.2 1.0 CG A:HIS94 4.1 9.7 1.0 ND1 A:HIS96 4.3 9.3 1.0 CG A:HIS96 4.3 7.6 1.0 ND1 A:HIS94 4.3 9.9 1.0 NE2 A:HIS119 4.3 7.5 1.0 CD2 A:HIS119 4.4 9.4 1.0 CG2 A:THR199 4.6 11.4 1.0 CB A:THR199 4.8 14.0 1.0 CD A:GLU106 4.9 9.2 1.0 CH2 A:TRP209 4.9 9.7 1.0

Cobalt binding site 2 out of 2 in the X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of X-Ray Crystal Structure of Cobalt-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Co263 b:22.1 occ:1.00 NE2 B:HIS96 2.1 11.1 1.0 NE2 B:HIS94 2.1 11.3 1.0 O B:HOH502 2.2 35.1 1.0 ND1 B:HIS119 2.2 8.5 1.0 O B:HOH503 2.3 24.6 1.0 CD2 B:HIS94 2.9 10.3 1.0 CD2 B:HIS96 3.1 7.1 1.0 CE1 B:HIS96 3.1 7.7 1.0 CE1 B:HIS119 3.2 7.3 1.0 CG B:HIS119 3.3 9.7 1.0 CE1 B:HIS94 3.3 14.8 1.0 CB B:HIS119 3.6 8.3 1.0 OG1 B:THR199 3.7 16.2 1.0 OE1 B:GLU106 4.0 7.2 1.0 CG B:HIS94 4.1 9.7 1.0 ND1 B:HIS96 4.3 9.3 1.0 CG B:HIS96 4.3 7.6 1.0 ND1 B:HIS94 4.3 9.9 1.0 NE2 B:HIS119 4.3 7.5 1.0 CD2 B:HIS119 4.4 9.4 1.0 CG2 B:THR199 4.6 11.4 1.0 CB B:THR199 4.8 14.0 1.0 CD B:GLU106 4.8 9.2 1.0 CH2 B:TRP209 4.9 9.7 1.0

J.D.Cox, J.A.Hunt, K.M.Compher, C.A.Fierke, D.W.Christianson. Structural Influence of Hydrophobic Core Residues on Metal Binding and Specificity in Carbonic Anhydrase II. Biochemistry V. 39 13687 2000.
ISSN: ISSN 0006-2960
PubMed: 11076507
DOI: 10.1021/BI001649J