Atomistry » Cobalt » PDB 6ega-6kfl » 6grn
Atomistry »
  Cobalt »
    PDB 6ega-6kfl »
      6grn »

Cobalt in PDB 6grn: Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site

Enzymatic activity of Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site

All present enzymatic activity of Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site:
3.2.1.91;

Protein crystallography data

The structure of Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site, PDB code: 6grn was solved by M.Sandgren, A.Fagerstrom, G.Widmalm, J.Stahlberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.31 / 1.79
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 83.109, 83.318, 110.962, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 18.8

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site (pdb code 6grn). 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 I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site, PDB code: 6grn:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 6grn

Go back to Cobalt Binding Sites List in 6grn
Cobalt binding site 1 out of 2 in the Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co502

b:7.5
occ:0.50
OE2 A:GLU325 2.0 8.2 1.0
OE2 A:GLU295 2.2 8.8 1.0
OE1 A:GLU295 2.2 9.1 1.0
CD A:GLU295 2.6 9.1 1.0
CD A:GLU325 3.0 8.7 1.0
OE1 A:GLU325 3.4 9.3 1.0
O A:HOH744 3.9 13.7 1.0
ND2 A:ASN301 4.1 7.6 1.0
CG A:GLU295 4.1 9.1 1.0
CG A:GLU325 4.4 8.6 1.0
O A:HOH785 4.4 9.5 1.0
OG A:SER297 4.8 9.0 1.0
CB A:ALA299 4.8 7.8 1.0
O A:HOH918 4.9 10.2 1.0
CB A:GLU295 4.9 9.2 1.0

Cobalt binding site 2 out of 2 in 6grn

Go back to Cobalt Binding Sites List in 6grn
Cobalt binding site 2 out of 2 in the Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Cellobiohydrolase I (CEL7A) From Trichoderma Reesei with S- Dihydroxypropranolol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co503

b:30.3
occ:1.00
O A:HOH678 2.0 35.9 1.0
O A:HOH609 2.2 29.3 1.0
OE2 A:GLU239 2.2 29.9 1.0
NE2 A:HIS206 2.2 16.8 1.0
O A:HOH982 2.3 40.6 1.0
O A:HOH923 2.3 34.9 1.0
OE1 A:GLU239 2.9 28.5 1.0
CD A:GLU239 2.9 24.0 1.0
CD2 A:HIS206 3.2 16.3 1.0
CE1 A:HIS206 3.2 17.3 1.0
O A:HOH975 4.2 26.7 1.0
ND1 A:HIS206 4.3 17.0 1.0
CG A:HIS206 4.3 15.2 1.0
CG A:GLU239 4.3 22.1 1.0
O A:HOH912 4.7 28.2 1.0

Reference:

C.Hamark, R.Pendrill, J.Landstrom, A.Dotson Fagerstrom, M.Sandgren, J.Stahlberg, G.Widmalm. Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase CEL7A. Chemistry V. 24 17975 2018.
ISSN: ISSN 1521-3765
PubMed: 30255965
DOI: 10.1002/CHEM.201803104
Page generated: Sun Jul 13 20:57:04 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy