Cobalt in PDB 4d5q: Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose.

All present enzymatic activity of Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose.:
3.2.1.176;

The structure of Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose., PDB code: 4d5q 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)	66.72 / 1.68
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.282, 83.597, 110.757, 90.00, 90.00, 90.00
R / Rfree (%)	15.217 / 18.59

The binding sites of Cobalt atom in the Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose. (pdb code 4d5q). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose., PDB code: 4d5q:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose.


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Co435 b:7.1 occ:0.50 OE2 A:GLU325 2.0 7.6 1.0 OE1 A:GLU295 2.2 8.1 1.0 OE2 A:GLU295 2.2 8.7 1.0 CD A:GLU295 2.5 8.3 1.0 CD A:GLU325 3.1 8.5 1.0 OE1 A:GLU325 3.4 9.0 1.0 O A:HOH2473 3.8 13.2 1.0 ND2 A:ASN301 4.0 7.1 1.0 CG A:GLU295 4.0 8.4 1.0 O A:HOH2446 4.4 10.4 1.0 CG A:GLU325 4.4 8.2 1.0 OG A:SER297 4.7 8.9 1.0 CB A:ALA299 4.8 7.6 1.0 O A:HOH2474 4.9 12.3 1.0 CB A:GLU295 4.9 8.4 1.0

Cobalt binding site 2 out of 2 in the Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose.


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Hypocrea Jecorina CEL7A (Wild Type) Soaked with Xylopentaose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Co436 b:18.2 occ:0.50 O A:HOH2338 1.8 33.6 1.0 OE2 A:GLU239 1.9 24.1 1.0 CE1 A:HIS206 1.9 12.5 0.5 O A:HOH2336 2.1 32.2 1.0 NE2 A:HIS206 2.2 10.4 0.5 O A:HOH2364 2.2 44.3 1.0 O A:HOH2337 2.2 27.4 1.0 NE2 A:HIS206 2.6 12.4 0.5 CD A:GLU239 2.9 19.9 1.0 CE1 A:HIS206 3.1 10.5 0.5 ND1 A:HIS206 3.1 12.3 0.5 OE1 A:GLU239 3.2 22.2 0.8 CD2 A:HIS206 3.2 10.5 0.5 CD2 A:HIS206 3.9 12.1 0.5 CG A:HIS206 4.1 11.8 0.5 CG A:GLU239 4.2 18.5 1.0 ND1 A:HIS206 4.2 10.4 0.5 CG A:HIS206 4.4 10.4 0.5 O A:HOH2315 4.4 28.3 1.0 O A:HOH2317 4.5 31.5 1.0 O A:HOH2142 4.6 26.7 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