Zinc in PDB 4u9e: Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3, PDB code: 4u9e was solved by F.A.Tezcan, W.J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.66 / 2.80
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.313, 92.213, 98.599, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 28.5

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Calcium	(Ca)	5 atoms

The binding sites of Zinc atom in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 (pdb code 4u9e). 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 the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3, PDB code: 4u9e:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3


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 Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn207 b:49.2 occ:1.00 O A:HOH315 2.3 21.1 1.0 ND1 A:HIS63 2.3 57.9 1.0 CE1 A:HIS63 3.2 57.6 1.0 CG A:HIS63 3.4 57.6 1.0 CB A:HIS63 3.7 57.7 1.0 CA A:HIS63 3.8 58.3 1.0 CB A:TRP66 4.0 43.9 1.0 CG A:TRP66 4.1 43.6 1.0 NE2 A:HIS63 4.4 57.1 1.0 CD2 A:HIS63 4.5 57.3 1.0 CD1 A:TRP66 4.5 43.9 1.0 N A:HIS63 4.5 61.4 1.0 CD2 A:TRP66 4.6 43.7 1.0 NE1 A:TRP41 5.0 75.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3


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 the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn208 b:66.2 occ:1.00 NE2 A:HIS100 2.6 52.6 1.0 CD2 A:HIS100 3.3 52.0 1.0 CE1 A:HIS100 3.7 52.2 1.0 CG A:HIS100 4.5 51.8 1.0 CB A:ALA104 4.6 64.8 1.0 ND1 A:HIS100 4.7 52.3 1.0

W.J.Song, A.F.Tezcan. A Designed Supramolecular Protein Assembly with in Vivo Enzymatic Activity Science V. 346 1525 2014.
ISSN: ISSN 0036-8075
PubMed: 25525249
DOI: 10.1126/SCIENCE.1259680