Cobalt in PDB 4uwt: Hypocrea Jecorina CEL7A E212Q Mutant in Complex with P-Nitrophenyl Cellobioside

All present enzymatic activity of Hypocrea Jecorina CEL7A E212Q Mutant in Complex with P-Nitrophenyl Cellobioside:
3.2.1.176;

The structure of Hypocrea Jecorina CEL7A E212Q Mutant in Complex with P-Nitrophenyl Cellobioside, PDB code: 4uwt was solved by A.Nutt, M.H.Momeni, G.Johansson, J.Stahlberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.19 / 1.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.301, 81.783, 110.526, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 15.9

The binding sites of Cobalt atom in the Hypocrea Jecorina CEL7A E212Q Mutant in Complex with P-Nitrophenyl Cellobioside (pdb code 4uwt). 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 E212Q Mutant in Complex with P-Nitrophenyl Cellobioside, PDB code: 4uwt:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hypocrea Jecorina CEL7A E212Q Mutant in Complex with P-Nitrophenyl Cellobioside


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 E212Q Mutant in Complex with P-Nitrophenyl Cellobioside within 5.0Å range: probe atom residue distance (Å) B Occ A:Co436 b:2.9 occ:0.50 OE2 A:GLU325 2.1 3.5 1.0 OE2 A:GLU295 2.2 3.5 1.0 OE1 A:GLU295 2.2 3.3 1.0 CD A:GLU295 2.5 3.5 1.0 CD A:GLU325 3.1 3.6 1.0 OE1 A:GLU325 3.4 3.7 1.0 O A:HOH1516 3.9 6.3 1.0 CG A:GLU295 4.0 3.6 1.0 ND2 A:ASN301 4.0 3.5 1.0 O A:HOH1474 4.3 5.6 1.0 CG A:GLU325 4.4 3.7 1.0 OG A:SER297 4.8 4.6 1.0 CB A:ALA299 4.8 3.5 1.0 O A:HOH1515 4.9 5.1 1.0 CB A:GLU295 4.9 3.7 1.0

Cobalt binding site 2 out of 2 in the Hypocrea Jecorina CEL7A E212Q Mutant in Complex with P-Nitrophenyl Cellobioside


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 E212Q Mutant in Complex with P-Nitrophenyl Cellobioside within 5.0Å range: probe atom residue distance (Å) B Occ A:Co437 b:27.2 occ:1.00 OE2 A:GLU239 1.9 18.7 1.0 O A:HOH1695 2.0 32.3 1.0 NE2 A:HIS206 2.0 9.9 0.5 NE2 A:HIS206 2.2 9.6 0.5 O A:HOH1694 2.2 26.1 1.0 O A:HOH1693 2.2 31.5 1.0 CE1 A:HIS206 2.8 9.8 0.5 CD A:GLU239 2.8 15.9 1.0 CE1 A:HIS206 3.0 9.5 0.5 OE1 A:GLU239 3.1 19.2 1.0 CD2 A:HIS206 3.2 9.5 0.5 CD2 A:HIS206 3.2 9.1 0.5 ND1 A:HIS206 3.9 9.6 0.5 O A:HOH1770 4.1 33.8 1.0 CG A:HIS206 4.2 9.1 0.5 ND1 A:HIS206 4.2 9.2 0.5 CG A:GLU239 4.2 14.8 1.0 CG A:HIS206 4.3 8.8 0.5 O A:HOH1349 4.6 23.9 1.0 O A:HOH1345 4.7 21.9 1.0

A.Nutt, M.H.Momeni, M.Nilsson, P.Valjamae, R.Isaksson, J.Stahlberg, C.M.Payne, G.Johansson. O-Nitrophenyl Cellobioside As An Active Site Probe For Family 7 Cellobiohydrolases and Structural Insight to Unexpected Enzyme Kinetics on Nitrophenyl Disaccharide Substrates To Be Published.