Zinc in PDB 1ia6: Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum

All present enzymatic activity of Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum:
3.2.1.4;

The structure of Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum, PDB code: 1ia6 was solved by G.Parsiegla, A.Belaich, J.P.Belaich, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.24 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.350, 53.010, 71.680, 90.00, 108.70, 90.00
R / Rfree (%)	15.8 / 18.9

The structure of Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum (pdb code 1ia6). 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 Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum, PDB code: 1ia6:

Zinc binding site 1 out of 1 in the Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Cellulase CEL9M of C. Cellulolyticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1264 b:13.0 occ:1.00 ND1 A:HIS39 2.1 12.2 1.0 NE2 A:HIS55 2.1 8.9 1.0 SG A:CYS22 2.3 9.1 1.0 SG A:CYS38 2.3 10.2 1.0 CE1 A:HIS39 2.9 14.3 1.0 CE1 A:HIS55 3.1 6.9 1.0 CD2 A:HIS55 3.1 7.1 1.0 CB A:CYS22 3.1 9.0 1.0 CG A:HIS39 3.2 11.4 1.0 CB A:CYS38 3.4 10.0 1.0 CA A:CYS22 3.5 10.0 1.0 CB A:HIS39 3.7 11.4 1.0 C A:CYS38 3.9 11.1 1.0 N A:GLY23 4.0 10.6 1.0 O A:CYS38 4.1 11.9 1.0 NE2 A:HIS39 4.1 12.4 1.0 N A:HIS39 4.2 10.0 1.0 ND1 A:HIS55 4.2 6.8 1.0 CG A:HIS55 4.2 6.3 1.0 CD2 A:HIS39 4.2 12.6 1.0 C A:CYS22 4.3 11.0 1.0 CA A:CYS38 4.3 10.8 1.0 NH2 A:ARG139 4.5 13.4 1.0 CA A:HIS39 4.6 10.8 1.0 CB A:PRO132 4.6 11.7 1.0 O A:LYS21 4.7 10.1 1.0 N A:CYS22 4.7 9.0 1.0 O A:HOH1271 4.8 13.3 1.0

G.Parsiegla, A.Belaich, J.P.Belaich, R.Haser. Crystal Structure of the Cellulase CEL9M Enlightens Structure/Function Relationships of the Variable Catalytic Modules in Glycoside Hydrolases. Biochemistry V. 41 11134 2002.
ISSN: ISSN 0006-2960
PubMed: 12220178
DOI: 10.1021/BI025816M