Cobalt in PDB 1q2b: Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C

All present enzymatic activity of Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C:
3.2.1.91;

The structure of Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C, PDB code: 1q2b was solved by J.Stahlberg, M.Harris, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.170, 83.140, 110.040, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 22.3

The binding sites of Cobalt atom in the Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C (pdb code 1q2b). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C, PDB code: 1q2b:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C within 5.0Å range: probe atom residue distance (Å) B Occ A:Co470 b:95.3 occ:1.00 O A:ILE300 2.6 5.5 1.0 O A:HOH1240 2.9 12.0 1.0 CD2 A:LEU225 2.9 5.8 1.0 CB A:LEU326 2.9 5.7 1.0 O A:HOH1158 3.0 10.6 1.0 CG2 A:ILE300 3.0 6.3 1.0 CB A:ILE300 3.1 6.0 1.0 C A:ILE300 3.1 5.4 1.0 CD1 A:LEU326 3.5 5.2 1.0 CA A:ILE300 3.7 5.7 1.0 CG A:LEU326 3.8 5.3 1.0 N A:ASN301 3.9 5.3 1.0 N A:LEU326 3.9 6.0 1.0 CG A:LEU225 3.9 5.6 1.0 CA A:LEU326 4.0 6.2 1.0 CA A:ASN301 4.2 5.0 1.0 C A:ASN301 4.3 5.0 1.0 CG1 A:ILE300 4.4 6.5 1.0 N A:ILE300 4.5 5.9 1.0 O A:ASN301 4.6 4.8 1.0 CB A:ARG302 4.7 5.1 1.0 CD1 A:ILE300 4.7 6.9 1.0 N A:ARG302 4.7 4.9 1.0 CD1 A:LEU225 4.8 5.5 1.0 O A:LEU326 4.8 6.6 1.0 CD2 A:LEU326 4.8 4.9 1.0 C A:LEU326 4.9 6.6 1.0

Cobalt binding site 2 out of 2 in the Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Cellobiohydrolase CEL7A with Disulphide Bridge Added Across Exo-Loop By Mutations D241C and D249C within 5.0Å range: probe atom residue distance (Å) B Occ A:Co471 b:38.7 occ:1.00 NE2 A:HIS206 2.2 11.9 1.0 OE1 A:GLU239 2.6 19.2 1.0 OE2 A:GLU239 2.7 19.4 1.0 CE1 A:HIS206 3.0 12.1 1.0 CD A:GLU239 3.0 18.2 1.0 CD2 A:HIS206 3.4 11.8 1.0 ND1 A:HIS206 4.2 11.7 1.0 CG A:HIS206 4.4 11.4 1.0 O A:HOH1471 4.4 21.0 1.0 CG A:GLU239 4.4 17.5 1.0

I.Von Ossowski, J.Stahlberg, A.Koivula, K.Piens, D.Becker, H.Boer, R.Harle, M.Harris, C.Divne, S.Mahdi, Y.Zhao, H.Driguez, M.Claeyssens, M.L.Sinnott, T.T.Teeri. Engineering the Exo-Loop of Trichoderma Reesei Cellobiohydrolase, CEL7A. A Comparison with Phanerochaete Chrysosporium CEL7D. J.Mol.Biol. V. 333 817 2003.
ISSN: ISSN 0022-2836
PubMed: 14568538
DOI: 10.1016/S0022-2836(03)00881-7