Zinc in PDB 4v20: The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex

All present enzymatic activity of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex:
3.2.1.91;

The structure of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex, PDB code: 4v20 was solved by O.V.Moroz, M.Maranta, T.Shaghasi, P.V.Harris, K.S.Wilson, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.49 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.560, 130.780, 46.120, 90.00, 90.00, 90.00
R / Rfree (%)	13.201 / 15.829

The structure of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Zinc atom in the The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex (pdb code 4v20). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex, PDB code: 4v20:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1441 b:22.8 occ:0.80 OE2 A:GLU415 1.4 8.0 0.5 O A:HOH2656 1.9 35.7 1.0 NE2 A:HIS377 2.1 19.6 1.0 OD1 A:ASP375 2.1 14.9 1.0 O A:HOH2442 2.4 44.8 1.0 CD A:GLU415 2.7 14.0 0.5 CG A:ASP375 2.7 17.4 1.0 OD2 A:ASP375 2.7 21.1 1.0 CE1 A:HIS377 3.0 21.8 1.0 CD2 A:HIS377 3.1 21.3 1.0 O A:HOH2444 3.4 54.4 1.0 OE1 A:GLU415 3.5 17.7 0.5 CG2 A:ILE104 3.9 11.4 0.2 CG A:GLU415 3.9 13.9 0.5 CG2 A:ILE104 4.0 11.7 0.2 O A:HOH2654 4.0 29.8 1.0 CB A:PRO411 4.0 19.3 1.0 ND1 A:HIS377 4.1 20.4 1.0 CB A:ASP375 4.2 14.2 1.0 CG A:HIS377 4.2 19.8 1.0 CG2 A:ILE104 4.2 15.5 0.5 O A:HOH2441 4.3 29.4 1.0 OD2 A:ASP198 4.6 22.9 1.0 O A:HOH2300 4.7 40.9 1.0 O A:ASP375 4.7 15.2 1.0 CG A:PRO411 4.8 19.8 1.0 OE1 A:GLU415 4.8 21.8 0.5 C A:ASP375 4.8 13.2 1.0 CA A:ASP375 4.8 13.1 1.0 CZ A:PHE95 4.9 14.9 1.0 CB A:ILE104 4.9 11.3 0.2 CA A:PRO411 4.9 17.8 1.0 N A:ASP375 4.9 12.2 1.0 O A:HOH2697 5.0 45.6 1.0

Zinc binding site 2 out of 2 in the The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1442 b:16.6 occ:0.80 OD1 A:ASP46 2.0 16.1 0.5 O A:HOH2144 2.0 15.5 1.0 OD1 A:ASP46 2.1 19.5 0.5 O A:HOH2143 2.2 10.8 1.0 O A:HOH2730 2.4 18.7 0.5 CG A:ASP46 2.9 16.4 0.5 CG A:ASP46 3.0 17.4 0.5 OD2 A:ASP46 3.1 17.7 0.5 OD2 A:ASP46 3.3 17.7 0.5 OG1 A:THR48 4.0 26.0 1.0 N A:TYR47 4.0 16.1 1.0 CB A:ASP46 4.3 16.4 0.5 CD2 A:TYR47 4.3 22.2 1.0 CB A:ASP46 4.4 17.2 0.5 CB A:TYR47 4.6 17.5 1.0 N A:THR48 4.7 15.8 1.0 CA A:TYR47 4.7 16.9 1.0 CA A:ASP46 4.8 16.1 0.5 CA A:ASP46 4.8 16.7 0.5 C A:ASP46 4.9 15.9 0.5 C A:ASP46 4.9 16.6 0.5 CG A:TYR47 4.9 19.5 1.0 C A:TYR47 5.0 17.5 1.0

O.V.Moroz, M.Maranta, T.Shaghasi, P.V.Harris, K.S.Wilson, G.J.Davies. The Three-Dimensional Structure of the Cellobiohydrolase CEL7A From Aspergillus Fumigatus at 1.5 A Resolution Acta Crystallogr.,Sect.F V. 71 114 2015.
ISSN: ISSN 1744-3091
PubMed: 25615982
DOI: 10.1107/S2053230X14027307