Cobalt in PDB 6cel: CBH1 (E212Q) Cellopentaose Complex

All present enzymatic activity of CBH1 (E212Q) Cellopentaose Complex:
3.2.1.91;

The structure of CBH1 (E212Q) Cellopentaose Complex, PDB code: 6cel was solved by C.Divne, J.Stahlberg, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.50 / 1.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.050, 82.950, 110.850, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.5

The binding sites of Cobalt atom in the CBH1 (E212Q) Cellopentaose Complex (pdb code 6cel). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the CBH1 (E212Q) Cellopentaose Complex, PDB code: 6cel:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the CBH1 (E212Q) Cellopentaose Complex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of CBH1 (E212Q) Cellopentaose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co461 b:33.6 occ:1.00 NE2 A:HIS206 2.4 18.8 1.0 OE1 A:GLU239 2.7 29.5 1.0 OE2 A:GLU239 2.8 40.4 1.0 CD A:GLU239 3.1 32.5 1.0 CE1 A:HIS206 3.2 21.1 1.0 CD2 A:HIS206 3.4 13.4 1.0 O A:HOH731 4.2 27.4 1.0 O A:HOH877 4.3 28.1 1.0 ND1 A:HIS206 4.3 21.8 1.0 CG A:HIS206 4.4 15.4 1.0 CG A:GLU239 4.5 25.9 1.0 O A:HOH749 4.5 19.6 1.0

Cobalt binding site 2 out of 2 in the CBH1 (E212Q) Cellopentaose Complex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of CBH1 (E212Q) Cellopentaose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1000 b:7.5 occ:0.50 OE2 A:GLU325 2.3 8.0 1.0 OE1 A:GLU295 2.4 7.5 1.0 OE2 A:GLU295 2.4 9.6 1.0 CD A:GLU295 2.7 4.8 1.0 CD A:GLU325 3.2 9.8 1.0 OE1 A:GLU325 3.4 8.2 1.0 O A:HOH745 3.8 7.9 1.0 ND2 A:ASN301 4.1 7.7 1.0 CG A:GLU295 4.2 6.9 1.0 O A:HOH598 4.4 8.5 1.0 CG A:GLU325 4.6 5.5 1.0 CB A:ALA299 4.7 5.5 1.0 OG A:SER297 4.8 7.7 1.0 O A:HOH600 4.9 6.4 1.0

C.Divne, J.Stahlberg, T.T.Teeri, T.A.Jones. High-Resolution Crystal Structures Reveal How A Cellulose Chain Is Bound in the 50 A Long Tunnel of Cellobiohydrolase I From Trichoderma Reesei. J.Mol.Biol. V. 275 309 1998.
ISSN: ISSN 0022-2836
PubMed: 9466911
DOI: 10.1006/JMBI.1997.1437