Zinc in PDB 4d1y: Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron.

The structure of Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron., PDB code: 4d1y was solved by T.Knaus, M.K.Uhl, S.Monschein, S.Moratti, K.Gruber, P.Macheroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.186 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.601, 40.851, 71.645, 90.00, 108.34, 90.00
R / Rfree (%)	21.42 / 25.97

The binding sites of Zinc atom in the Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron. (pdb code 4d1y). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron., PDB code: 4d1y:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron.


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 A Putative Protease From Bacteroides Thetaiotaomicron. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1177 b:44.8 occ:1.00 SG A:CYS74 2.0 35.9 1.0 SG A:CYS111 2.3 27.2 1.0 O A:HOH2023 2.4 21.0 1.0 O A:HOH2025 3.1 27.6 1.0 CB A:CYS74 3.2 32.4 1.0 CB A:CYS111 3.2 33.2 1.0 O A:GLY75 3.8 35.2 1.0 N A:GLY75 3.8 32.6 1.0 O A:HOH2027 3.9 20.4 1.0 C A:CYS74 4.2 31.9 1.0 N A:ALA112 4.2 33.5 1.0 CA A:CYS74 4.3 32.1 1.0 C A:GLY75 4.4 34.0 1.0 CA A:GLY75 4.5 32.9 1.0 CB A:ALA112 4.5 36.3 1.0 CA A:CYS111 4.6 33.0 1.0 C A:CYS111 4.8 33.2 1.0 CG2 A:VAL78 4.9 39.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of A Putative Protease From Bacteroides Thetaiotaomicron. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1176 b:54.7 occ:1.00 SG B:CYS74 2.1 47.3 1.0 SG B:CYS111 2.2 43.1 1.0 O B:HOH2016 2.3 18.4 1.0 O B:HOH2015 2.9 19.0 1.0 CB B:CYS111 3.2 39.5 1.0 CB B:CYS74 3.3 35.2 1.0 O B:GLY75 3.8 45.2 1.0 N B:GLY75 3.8 41.4 1.0 O B:HOH2014 4.0 50.8 1.0 N B:ALA112 4.1 46.1 1.0 C B:CYS74 4.3 39.5 1.0 CA B:CYS74 4.4 38.2 1.0 CB B:ALA112 4.4 47.7 1.0 C B:GLY75 4.4 44.5 1.0 CA B:GLY75 4.5 42.1 1.0 CA B:CYS111 4.5 43.2 1.0 C B:CYS111 4.7 46.1 1.0 CA B:ALA112 4.9 47.4 1.0 CB B:VAL78 4.9 57.5 1.0 CG2 B:VAL78 5.0 53.5 1.0

T.Knaus, M.K.Uhl, S.Monschein, S.Moratti, K.Gruber, P.Macheroux. Structure and Stability of An Unusual Zinc-Binding Protein From Bacteroides Thetaiotaomicron. Biochim.Biophys.Acta 2014.
ISSN: ESSN 0006-3002
PubMed: 25263158
DOI: 10.1016/J.BBAPAP.2014.08.008