Cobalt in PDB 3h2w: Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose

All present enzymatic activity of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose:
3.2.1.4;

The structure of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose, PDB code: 3h2w was solved by S.Morera, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.92 / 2.66
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.892, 129.398, 48.965, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 25.4

The structure of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Cobalt atom in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose (pdb code 3h2w). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose, PDB code: 3h2w:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Co540 b:32.5 occ:1.00 O A:SER465 2.0 30.0 1.0 O A:VAL470 2.1 35.3 1.0 OD1 A:ASP468 2.2 37.5 1.0 C A:SER465 3.1 30.0 1.0 CG A:ASP468 3.2 35.5 1.0 C A:VAL470 3.3 35.0 1.0 OD2 A:ASP468 3.6 35.9 1.0 N A:VAL470 3.7 35.2 1.0 CA A:SER465 3.7 29.9 1.0 CA A:VAL470 3.9 34.9 1.0 O A:ASP468 3.9 36.7 1.0 O A:ASP471 4.0 33.0 1.0 O A:HIS472 4.1 28.9 1.0 CB A:VAL470 4.2 34.7 1.0 N A:VAL466 4.2 30.6 1.0 C A:ASP468 4.3 35.6 1.0 N A:ASP471 4.3 34.9 1.0 C A:ASP471 4.4 33.3 1.0 CB A:SER465 4.5 30.0 1.0 O A:PRO464 4.5 29.8 1.0 CB A:ASP468 4.6 35.1 1.0 CA A:VAL466 4.6 30.9 1.0 CA A:ASP471 4.6 34.8 1.0 C A:VAL466 4.7 31.6 1.0 O A:VAL466 4.7 31.8 1.0 C A:HIS472 4.7 29.4 1.0 C A:ASP469 4.8 35.5 1.0 N A:ASP469 4.8 35.7 1.0 CA A:ASP469 4.8 35.7 1.0 CA A:ASP468 4.9 35.0 1.0 N A:ASP468 4.9 34.4 1.0 N A:SER465 4.9 29.8 1.0 CA A:PRO473 4.9 27.4 1.0

Cobalt binding site 2 out of 2 in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Co541 b:58.5 occ:1.00 OD1 A:ASP469 2.7 36.6 1.0 CG A:ASP469 3.5 36.6 1.0 OD2 A:ASP469 3.6 39.2 1.0 O A:ALA467 3.9 32.9 1.0 OD1 A:ASP225 4.2 40.8 1.0 OD2 A:ASP225 4.4 41.0 1.0 NH2 A:ARG227 4.6 38.4 1.0 CG A:ASP225 4.7 37.9 1.0 CB A:ASP469 5.0 36.2 1.0 C A:ALA467 5.0 33.4 1.0

K.Eckert, A.Vigouroux, L.Lo Leggio, S.Morera. Crystal Structures of A. Acidocaldarius Endoglucanase CEL9A in Complex with Cello-Oligosaccharides: Strong -1 and -2 Subsites Mimic Cellobiohydrolase Activity J.Mol.Biol. V. 394 61 2009.
ISSN: ISSN 0022-2836
PubMed: 19729024
DOI: 10.1016/J.JMB.2009.08.060