Zinc in PDB 2hek: Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution.

The structure of Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution., PDB code: 2hek was solved by V.Oganesyan, J.Jancarik, P.D.Adams, R.Kim, S.H.Kim, Berkeley Structuralgenomics Center (Bsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	107.687, 144.413, 144.677, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22

The structure of Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Chlorine	(Cl)	5 atoms

The binding sites of Zinc atom in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. (pdb code 2hek). 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 O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution., PDB code: 2hek:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution.


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 O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:59.5 occ:0.50 O2 A:PO4501 2.0 61.9 1.0 OD1 A:ASP161 2.1 36.3 1.0 NE2 A:HIS54 2.3 23.2 1.0 O A:HOH607 2.3 58.2 1.0 P A:PO4501 2.6 63.4 1.0 OD1 A:ASP85 2.8 41.8 1.0 O1 A:PO4501 2.9 66.1 1.0 O4 A:PO4501 2.9 61.2 1.0 CD2 A:HIS54 2.9 24.2 1.0 CG A:ASP161 3.0 31.8 1.0 OD2 A:ASP161 3.2 33.1 1.0 CE1 A:HIS54 3.4 25.9 1.0 CG A:ASP85 3.6 39.8 1.0 OD2 A:ASP85 3.7 45.0 1.0 ND1 A:HIS84 3.9 45.6 1.0 O3 A:PO4501 4.1 67.2 1.0 NH1 A:ARG51 4.2 40.5 1.0 CG A:HIS54 4.2 24.8 1.0 CB A:ASP161 4.3 28.5 1.0 CD2 A:TYR165 4.4 30.7 1.0 ND1 A:HIS54 4.4 23.8 1.0 CE1 A:HIS84 4.5 45.2 1.0 NE2 A:GLN36 4.6 30.4 1.0 CG2 A:VAL58 4.7 20.5 1.0 CA A:ASP161 4.9 26.9 1.0 CE2 A:TYR165 4.9 31.5 1.0 O A:ASP161 5.0 30.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution.


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 O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:41.5 occ:0.50 O4 B:PO4502 1.9 54.4 1.0 OD1 B:ASP161 2.0 35.3 1.0 NE2 B:HIS54 2.1 23.4 1.0 O B:HOH609 2.1 53.2 1.0 CG B:ASP161 2.9 32.3 1.0 P B:PO4502 2.9 60.1 1.0 CD2 B:HIS54 2.9 22.8 1.0 OD1 B:ASP85 3.1 47.1 1.0 OD2 B:ASP161 3.2 33.6 1.0 CE1 B:HIS54 3.2 23.8 1.0 O2 B:PO4502 3.3 59.5 1.0 O3 B:PO4502 3.4 60.6 1.0 OD2 B:ASP85 3.6 47.0 1.0 CG B:ASP85 3.7 42.1 1.0 ND1 B:HIS84 3.8 42.0 1.0 CG B:HIS54 4.2 23.2 1.0 CB B:ASP161 4.2 29.3 1.0 O1 B:PO4502 4.2 63.5 1.0 ND1 B:HIS54 4.3 21.5 1.0 NH1 B:ARG51 4.3 38.5 1.0 CD2 B:TYR165 4.4 28.5 1.0 CE1 B:HIS84 4.4 41.0 1.0 O B:HOH753 4.5 49.8 1.0 CG2 B:VAL58 4.6 20.8 1.0 CA B:ASP161 4.6 25.8 1.0 NE2 B:GLN36 4.8 28.1 1.0 O B:ASP161 4.9 24.5 1.0 CE2 B:TYR165 4.9 28.4 1.0 CG B:HIS84 4.9 36.8 1.0

V.Oganesyan, P.D.Adams, J.Jancarik, R.Kim, S.H.Kim. Structure of O67745_AQUAE, A Hypothetical Protein From Aquifex Aeolicus. Acta Crystallogr.,Sect.F V. 63 369 2007.
ISSN: ESSN 1744-3091
PubMed: 17565173
DOI: 10.1107/S1744309107018945