Zinc in PDB 3gzk: Structure of A. Acidocaldarius Cellulase Cela

All present enzymatic activity of Structure of A. Acidocaldarius Cellulase Cela:
3.2.1.4;

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

Resolution Low / High (Å)	19.73 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.920, 129.300, 49.040, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.3

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

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Structure of A. Acidocaldarius Cellulase Cela (pdb code 3gzk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of A. Acidocaldarius Cellulase Cela, PDB code: 3gzk:

Zinc binding site 1 out of 1 in the Structure of A. Acidocaldarius Cellulase Cela


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of A. Acidocaldarius Cellulase Cela within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn539 b:19.8 occ:1.00 ND1 A:HIS122 2.1 19.8 1.0 NE2 A:HIS142 2.1 16.2 1.0 SG A:CYS104 2.3 18.8 1.0 SG A:CYS121 2.3 22.7 1.0 CE1 A:HIS122 3.0 20.2 1.0 CE1 A:HIS142 3.1 14.8 1.0 CB A:CYS104 3.1 18.3 1.0 CD2 A:HIS142 3.1 15.5 1.0 CG A:HIS122 3.2 21.1 1.0 CB A:CYS121 3.3 23.4 1.0 CA A:CYS104 3.5 18.6 1.0 CB A:HIS122 3.6 22.7 1.0 O A:CYS121 3.7 22.8 1.0 C A:CYS121 3.7 23.4 1.0 N A:GLY105 4.0 20.7 1.0 N A:HIS122 4.1 23.4 1.0 CA A:CYS121 4.1 23.4 1.0 NE2 A:HIS122 4.1 19.3 1.0 ND1 A:HIS142 4.2 15.5 1.0 C A:CYS104 4.2 19.4 1.0 CD2 A:HIS122 4.2 20.0 1.0 CG A:HIS142 4.3 14.7 1.0 CA A:HIS122 4.5 23.3 1.0 O A:HOH708 4.7 29.6 1.0 N A:CYS104 4.7 17.7 1.0 N A:CYS121 4.8 24.0 1.0 O A:LEU103 4.8 16.6 1.0 CB A:PRO228 5.0 27.9 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