Cobalt in PDB 4d5v: Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose.

All present enzymatic activity of Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose.:
3.2.1.176;

The structure of Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose., PDB code: 4d5v was solved by M.H.Momeni, J.Stahlberg, H.Hansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.59 / 1.62
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.210, 83.360, 110.690, 90.00, 90.00, 90.00
R / Rfree (%)	14.704 / 17.852

The binding sites of Cobalt atom in the Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose. (pdb code 4d5v). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose., PDB code: 4d5v:

Cobalt binding site 1 out of 1 in the Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose.


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Hypocrea Jecorina Cellobiohydrolase CEL7A E217Q Soaked with Xylotetraose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1435 b:17.3 occ:0.50 OE2 A:GLU325 2.3 7.3 1.0 OE2 A:GLU295 2.4 11.1 0.8 OE1 A:GLU295 2.5 11.2 1.0 O A:HOH2408 2.7 42.2 0.5 CD A:GLU295 2.8 10.8 0.8 CD A:GLU325 3.2 8.0 1.0 OE1 A:GLU325 3.5 8.2 1.0 ND2 A:ASN301 4.2 10.5 1.0 CG A:GLU295 4.3 10.5 1.0 O A:HOH2417 4.5 17.5 1.0 CG A:GLU325 4.6 7.6 1.0 CB A:ALA299 4.7 6.6 1.0 OG A:SER297 4.7 9.6 1.0

M.Haddad Momeni, W.Ubhayasekera, M.Sandgren, J.Stahlberg, H.Hansson. Structural Insights Into the Inhibition of Cellobiohydrolase CEL7A By Xylooligosaccharides. Febs J. 2015.
ISSN: ESSN 1742-4658
PubMed: 25765184
DOI: 10.1111/FEBS.13265