Zinc in PDB 1gvy: Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa

All present enzymatic activity of Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa:
3.2.1.78;

The structure of Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa, PDB code: 1gvy was solved by V.Ducros, D.L.Zechel, H.J.Gilbert, L.Szabo, D.Stoll, S.G.Withers, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	93.192, 93.192, 54.343, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17

The structure of Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa (pdb code 1gvy). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa, PDB code: 1gvy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1423 b:13.5 occ:1.00 N A:TRS1429 1.9 15.8 1.0 NE2 A:HIS71 2.0 13.7 1.0 OE2 A:GLU67 2.0 13.8 1.0 O3 A:TRS1429 2.5 12.7 1.0 C A:TRS1429 2.9 15.5 1.0 CD A:GLU67 3.0 15.8 1.0 CD2 A:HIS71 3.0 11.8 1.0 CE1 A:HIS71 3.0 12.6 1.0 C3 A:TRS1429 3.2 14.3 1.0 OE1 A:GLU67 3.3 17.7 1.0 C2 A:TRS1429 3.4 17.1 1.0 O2 A:TRS1429 3.7 16.4 1.0 ND1 A:HIS71 4.1 13.5 1.0 CG A:HIS71 4.1 12.9 1.0 O A:HOH2025 4.2 30.3 1.0 C1 A:TRS1429 4.3 19.1 1.0 O A:HOH2449 4.3 14.7 1.0 CG A:GLU67 4.3 17.6 1.0 O A:GLU67 4.4 16.8 1.0 O A:HOH2023 4.7 23.9 1.0

Zinc binding site 2 out of 2 in the Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Substrate Distorsion By Beta-Mannanase From Pseudomonas Cellulosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1425 b:12.9 occ:1.00 OD1 A:ASP283 2.0 14.3 1.0 OE2 A:GLU320 2.0 11.1 1.0 NH1 A:ARG208 2.0 13.6 1.0 ND1 A:HIS211 2.0 10.4 1.0 CG A:ASP283 2.8 16.9 1.0 CD A:GLU320 2.8 13.0 1.0 OD2 A:ASP283 2.9 16.7 1.0 CZ A:ARG208 2.9 12.0 1.0 CE1 A:HIS211 3.0 11.9 1.0 CG A:HIS211 3.0 9.4 1.0 NH2 A:ARG208 3.1 13.8 1.0 CG A:GLU320 3.4 14.2 1.0 CB A:HIS211 3.4 9.0 1.0 OE1 A:GLU320 3.8 16.2 1.0 O A:HOH2326 3.9 17.9 1.0 NE2 A:HIS211 4.1 10.0 1.0 CB A:GLU320 4.1 14.9 1.0 CB A:ASP283 4.1 12.9 1.0 CD2 A:HIS211 4.1 11.6 1.0 OG A:SER255 4.2 16.5 1.0 NE A:ARG208 4.2 10.0 1.0 F2 A:MBF1426 4.7 17.2 1.0 CD A:ARG208 4.8 10.8 1.0 CA A:HIS211 4.8 9.6 1.0 N A:ALA212 4.9 11.3 1.0 CB A:SER255 5.0 11.9 1.0

V.Ducros, D.L.Zechel, G.Murshudov, H.J.Gilbert, L.Szabo, D.Stoll, S.G.Withers, G.J.Davies. Substrate Distortion By A Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest A B2,5 Conformation For the Transition State Angew.Chem.Int.Ed.Engl. V. 41 2824 2002.
ISSN: ISSN 1433-7851
PubMed: 12203498
DOI: 10.1002/1521-3773(20020802)41:15<2824::AID-ANIE2824>3.0.CO;2