Cobalt in PDB 6rwf: The Dissociation Mechanism of Processive Cellulases

The structure of The Dissociation Mechanism of Processive Cellulases, PDB code: 6rwf was solved by J.Stahlberg, B.C.Knott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.52 / 1.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.363, 51.632, 65.590, 90.00, 96.31, 90.00
R / Rfree (%)	12.7 / 16.5

The binding sites of Cobalt atom in the The Dissociation Mechanism of Processive Cellulases (pdb code 6rwf). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 5 binding sites of Cobalt where determined in the The Dissociation Mechanism of Processive Cellulases, PDB code: 6rwf:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5;

Cobalt binding site 1 out of 5 in the The Dissociation Mechanism of Processive Cellulases


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Dissociation Mechanism of Processive Cellulases within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:13.5 occ:1.00 OD1 A:ASP329 2.1 6.5 1.0 O A:HOH1017 2.1 14.8 1.0 O A:HOH1009 2.1 14.4 1.0 O A:HOH734 2.2 8.3 1.0 CG A:ASP329 3.0 5.5 1.0 OD2 A:ASP329 3.4 5.4 1.0 O A:HOH1064 3.8 14.0 1.0 O A:HOH1124 4.1 29.6 1.0 CB A:ASP329 4.3 4.9 1.0 O A:HOH962 4.5 19.3 1.0

Cobalt binding site 2 out of 5 in the The Dissociation Mechanism of Processive Cellulases


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of The Dissociation Mechanism of Processive Cellulases within 5.0Å range: probe atom residue distance (Å) B Occ A:Co502 b:25.5 occ:1.00 O A:HOH616 1.9 17.0 1.0 O A:HOH1078 2.0 25.4 1.0 O A:HOH681 2.3 22.9 1.0 O A:HOH966 2.5 21.4 1.0 O A:PHE280 3.9 5.5 1.0 O A:HOH656 4.1 17.8 1.0 O A:THR281 4.2 5.9 1.0 O A:SER278 4.3 11.1 1.0 O A:HOH951 4.3 20.8 1.0 CB A:ASP283 4.4 5.7 1.0 CA A:SER278 4.4 11.4 1.0 C A:SER278 4.7 10.8 1.0 OD2 A:ASP283 4.7 7.2 1.0 O A:GLY277 5.0 7.6 1.0 OE1 A:GLN306 5.0 7.2 1.0

Cobalt binding site 3 out of 5 in the The Dissociation Mechanism of Processive Cellulases


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of The Dissociation Mechanism of Processive Cellulases within 5.0Å range: probe atom residue distance (Å) B Occ A:Co503 b:26.5 occ:1.00 OD2 A:ASP249 2.2 26.4 1.0 O A:HOH1041 2.3 28.0 1.0 O A:HOH618 2.4 12.2 1.0 O A:HOH617 2.4 21.3 1.0 CG A:ASP249 3.0 21.3 1.0 OD1 A:ASP249 3.4 28.6 1.0 O A:HOH736 3.8 33.4 1.0 OD2 A:ASP241 4.0 7.5 1.0 O A:HOH666 4.2 26.3 1.0 OD1 A:ASP241 4.2 9.8 1.0 CB A:ASP249 4.3 16.9 1.0 OE2 A:GLU193 4.5 18.6 0.5 CG A:ASP241 4.5 8.4 1.0

Cobalt binding site 4 out of 5 in the The Dissociation Mechanism of Processive Cellulases


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of The Dissociation Mechanism of Processive Cellulases within 5.0Å range: probe atom residue distance (Å) B Occ A:Co504 b:21.3 occ:1.00 O A:HOH604 1.7 15.9 1.0 OE2 A:GLU239 2.0 17.9 1.0 O A:HOH884 2.0 28.1 1.0 O A:HOH676 2.1 29.9 1.0 NE2 A:HIS206 2.3 5.2 0.3 NE2 A:HIS206 2.3 8.8 0.7 CD A:GLU239 2.9 14.9 1.0 CE1 A:HIS206 3.0 7.8 0.7 CE1 A:HIS206 3.1 5.1 0.3 OE1 A:GLU239 3.2 20.0 1.0 CD2 A:HIS206 3.4 5.0 0.3 CD2 A:HIS206 3.4 7.1 0.7 ND1 A:HIS206 4.2 7.3 0.7 O A:HOH1113 4.2 37.3 1.0 O A:HOH1123 4.2 27.6 1.0 ND1 A:HIS206 4.2 5.0 0.3 CG A:GLU239 4.3 13.0 1.0 CG A:HIS206 4.4 6.4 0.7 CG A:HIS206 4.4 4.8 0.3 O A:HOH752 4.4 25.1 1.0 O A:HOH686 4.5 25.7 1.0 O A:HOH782 4.5 27.7 1.0 CB A:GLU239 4.8 9.8 1.0

Cobalt binding site 5 out of 5 in the The Dissociation Mechanism of Processive Cellulases


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of The Dissociation Mechanism of Processive Cellulases within 5.0Å range: probe atom residue distance (Å) B Occ A:Co506 b:91.0 occ:1.00 O A:HOH1056 1.9 37.4 1.0 O A:HOH860 1.9 16.2 1.0 O A:HOH1214 2.4 29.5 1.0 O A:HOH876 2.4 22.8 1.0 O A:HOH1006 2.6 17.6 1.0 O A:HOH628 2.7 26.6 1.0 O A:HOH1101 3.4 25.1 1.0 O A:HOH1106 3.7 23.7 1.0 O A:HOH639 3.8 9.3 1.0 OE1 A:GLU217 3.8 8.2 1.0 OE2 A:GLU212 3.9 3.3 1.0 CZ2 A:TRP367 4.2 7.0 1.0 CG A:GLN175 4.2 6.9 1.0 NE2 A:GLN175 4.5 7.8 1.0 CH2 A:TRP367 4.5 7.6 1.0 CD A:GLN175 4.6 7.5 1.0 OE1 A:GLU212 4.7 3.0 1.0 CD A:GLU217 4.7 6.3 1.0 CD A:GLU212 4.7 2.9 1.0 OD2 A:ASP214 4.8 3.9 1.0 OD2 A:ASP173 4.9 3.0 1.0 OE2 A:GLU217 5.0 6.7 1.0

J.V.Vermaas, R.Kont, G.T.Beckham, M.F.Crowley, M.Gudmundsson, M.Sandgren, J.Stahlberg, P.Valjamae, B.C.Knott. The Dissociation Mechanism of Processive Cellulases. Proc.Natl.Acad.Sci.Usa V. 116 23061 2019.
ISSN: ESSN 1091-6490
PubMed: 31666327
DOI: 10.1073/PNAS.1913398116