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

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

The structure of X-Ray Crystal Structure of Copper-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant, PDB code: 1fsr 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 (°)	42.300, 43.800, 67.600, 86.70, 90.00, 75.60
R / Rfree (%)	24 / 29.7

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

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


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Crystal Structure of Copper-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu262 b:20.7 occ:1.00 NE2 A:HIS94 2.0 8.4 1.0 ND1 A:HIS119 2.1 11.8 1.0 NE2 A:HIS96 2.2 7.2 1.0 O A:HOH302 2.4 8.4 1.0 O A:HOH301 2.4 20.9 1.0 CD2 A:HIS94 3.0 9.2 1.0 CE1 A:HIS94 3.0 11.4 1.0 CE1 A:HIS119 3.0 10.0 1.0 CG A:HIS119 3.1 7.3 1.0 CE1 A:HIS96 3.1 3.6 1.0 CD2 A:HIS96 3.3 6.4 1.0 OG1 A:THR199 3.4 15.5 1.0 CB A:HIS119 3.4 3.5 1.0 ND1 A:HIS94 4.1 13.9 1.0 CG A:HIS94 4.1 8.6 1.0 NE2 A:HIS119 4.1 6.9 1.0 OE1 A:GLU106 4.2 5.4 1.0 CD2 A:HIS119 4.2 6.0 1.0 ND1 A:HIS96 4.3 6.9 1.0 CG A:HIS96 4.4 2.3 1.0 CB A:THR199 4.6 11.1 1.0 CH2 A:TRP209 4.7 9.3 1.0 CA A:HIS119 4.9 9.9 1.0 CD A:GLU106 5.0 6.9 1.0

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


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Crystal Structure of Copper-Bound F93S/F95L/W97M Carbonic Anhydrase (Caii) Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu263 b:20.7 occ:1.00 NE2 B:HIS94 2.0 8.4 1.0 ND1 B:HIS119 2.1 11.8 1.0 NE2 B:HIS96 2.2 7.2 1.0 O B:HOH354 2.4 8.4 1.0 O B:HOH353 2.4 20.9 1.0 CD2 B:HIS94 3.0 9.2 1.0 CE1 B:HIS94 3.0 11.4 1.0 CE1 B:HIS119 3.0 10.0 1.0 CG B:HIS119 3.1 7.3 1.0 CE1 B:HIS96 3.1 3.6 1.0 CD2 B:HIS96 3.3 6.4 1.0 OG1 B:THR199 3.4 15.5 1.0 CB B:HIS119 3.4 3.5 1.0 ND1 B:HIS94 4.1 13.9 1.0 CG B:HIS94 4.1 8.6 1.0 NE2 B:HIS119 4.1 6.9 1.0 OE1 B:GLU106 4.2 5.4 1.0 CD2 B:HIS119 4.2 6.0 1.0 ND1 B:HIS96 4.3 6.9 1.0 CG B:HIS96 4.4 2.3 1.0 CB B:THR199 4.6 11.1 1.0 CH2 B:TRP209 4.7 9.3 1.0 CA B:HIS119 4.9 9.9 1.0 CD B:GLU106 5.0 6.9 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