Chlorine 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
Zinc	(Zn)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution., PDB code: 2hek:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 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 Chlorine with other atoms in the Cl 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:Cl604 b:39.1 occ:1.00 OE2 A:GLU75 2.8 47.8 1.0 OH A:TYR59 2.9 32.0 1.0 O A:HOH730 3.3 76.9 1.0 N A:GLY19 3.3 32.7 1.0 N A:GLY16 3.4 36.1 1.0 CA A:GLY16 3.5 37.0 1.0 C A:GLY16 3.6 39.5 1.0 CD A:GLU75 3.6 46.4 1.0 OE1 A:GLU75 3.7 46.5 1.0 O A:GLY16 3.7 39.5 1.0 O A:HOH692 3.7 55.2 1.0 CZ A:TYR59 3.8 31.0 1.0 CA A:GLY19 3.9 31.4 1.0 CE2 A:TYR59 3.9 29.7 1.0 N A:ALA18 4.1 33.2 1.0 N A:GLU17 4.3 39.4 1.0 C A:ALA18 4.3 32.9 1.0 CB A:ALA18 4.4 32.5 1.0 CD2 A:LEU79 4.4 34.4 1.0 CA A:ALA18 4.5 33.9 1.0 CG1 A:VAL15 4.5 36.5 1.0 C A:VAL15 4.6 35.4 1.0 NZ A:LYS78 4.8 37.3 1.0 C A:GLU17 4.9 34.8 1.0

Chlorine binding site 2 out of 5 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 Chlorine with other atoms in the Cl 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 A:Cl606 b:40.5 occ:1.00 O A:HOH728 3.0 47.1 1.0 N A:LEU39 3.2 29.4 1.0 O A:HOH767 3.2 57.9 1.0 N A:SER92 3.5 43.0 1.0 OG A:SER92 3.6 51.2 1.0 CD2 A:PHE91 3.6 33.0 1.0 CB A:PHE91 3.7 38.5 1.0 CA A:GLY38 3.7 28.2 1.0 CB A:SER92 3.8 50.0 1.0 CB A:LEU39 3.9 29.3 1.0 CG A:PHE91 4.0 36.0 1.0 CG A:LEU39 4.0 32.0 1.0 C A:GLY38 4.0 28.6 1.0 O A:HOH704 4.1 46.7 1.0 CA A:LEU39 4.1 27.3 1.0 CA A:SER92 4.2 48.4 1.0 CA A:PHE91 4.2 39.4 1.0 O A:LEU37 4.2 27.4 1.0 CD1 A:LEU39 4.3 35.2 1.0 C A:PHE91 4.3 43.5 1.0 CB A:SER230 4.4 38.2 1.0 OG A:SER230 4.4 41.2 1.0 CD2 A:LEU233 4.5 42.7 1.0 CA A:SER230 4.6 34.0 1.0 CE2 A:PHE91 4.7 34.7 1.0 N A:GLY38 4.7 26.7 1.0 O A:SER92 4.8 48.8 1.0 C A:LEU37 4.8 26.3 1.0 C A:LEU39 4.9 25.2 1.0 C A:SER92 5.0 49.8 1.0 N A:ALA40 5.0 23.9 1.0

Chlorine binding site 3 out of 5 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl605 b:36.5 occ:1.00 O B:HOH654 3.1 38.9 1.0 N B:LEU39 3.2 29.9 1.0 N B:SER92 3.5 38.6 1.0 CB B:SER92 3.7 48.7 1.0 CA B:GLY38 3.8 26.4 1.0 CB B:LEU39 3.9 28.7 1.0 OG B:SER92 3.9 52.9 1.0 CG B:LEU39 3.9 30.3 1.0 C B:GLY38 4.0 28.9 1.0 CB B:PHE91 4.0 35.5 1.0 CA B:LEU39 4.1 29.8 1.0 CD2 B:PHE91 4.1 34.7 1.0 O B:HOH661 4.1 44.1 1.0 O B:LEU37 4.2 24.8 1.0 CA B:SER92 4.2 46.2 1.0 CA B:PHE91 4.3 36.8 1.0 CB B:SER230 4.3 37.4 1.0 CD1 B:LEU39 4.4 27.5 1.0 OG B:SER230 4.4 39.2 1.0 CA B:SER230 4.4 32.3 1.0 C B:PHE91 4.5 41.5 1.0 CG B:PHE91 4.5 34.7 1.0 CG B:LEU233 4.8 35.0 1.0 O B:SER92 4.8 44.6 1.0 N B:GLY38 4.8 25.2 1.0 C B:LEU37 4.9 25.3 1.0 C B:LEU39 4.9 27.8 1.0 N B:ALA40 5.0 27.3 1.0 CB B:LEU233 5.0 33.2 1.0

Chlorine binding site 4 out of 5 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl607 b:50.5 occ:1.00 OH B:TYR165 2.8 32.5 1.0 NE B:ARG213 3.0 50.9 1.0 OH B:TYR217 3.2 38.1 1.0 NH1 B:ARG162 3.5 58.7 1.0 CE1 B:TYR217 3.6 32.8 1.0 CG B:ARG162 3.7 46.1 1.0 CZ B:TYR165 3.8 29.4 1.0 CD B:ARG213 3.8 41.1 1.0 CD B:ARG162 3.8 52.4 1.0 CE1 B:TYR165 3.8 27.9 1.0 CZ B:ARG213 3.9 57.3 1.0 NH2 B:ARG213 3.9 59.5 1.0 CZ B:TYR217 3.9 34.7 1.0 CG B:ARG213 4.2 37.4 1.0 CZ B:ARG162 4.2 56.9 1.0 NE B:ARG162 4.3 55.8 1.0 CD2 B:LEU166 4.5 25.1 1.0 CB B:ARG162 4.8 34.1 1.0 O B:HOH714 4.9 54.3 1.0 CD1 B:TYR217 4.9 30.6 1.0 CG B:LEU166 4.9 26.5 1.0 CD1 B:LEU166 5.0 27.6 1.0

Chlorine binding site 5 out of 5 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 Chlorine with other atoms in the Cl binding site number 5 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:Cl608 b:66.0 occ:1.00 NH1 B:ARG64 2.7 67.2 1.0 OH B:TYR182 3.0 45.4 1.0 NE2 B:HIS60 3.1 30.0 1.0 O B:HOH699 3.4 58.8 1.0 CD2 B:TYR10 3.9 27.1 1.0 CZ B:TYR182 3.9 40.8 1.0 CE1 B:HIS60 4.0 31.8 1.0 CE1 B:TYR182 4.0 39.8 1.0 CZ B:ARG64 4.0 65.1 1.0 CD2 B:HIS60 4.1 28.3 1.0 CB B:TYR10 4.2 25.5 1.0 O B:TYR10 4.3 38.1 1.0 CG B:TYR10 4.4 23.6 1.0 CA B:TYR10 4.6 28.2 1.0 CD B:ARG64 4.8 58.7 1.0 OD2 B:ASP183 4.8 62.3 1.0 NH2 B:ARG64 4.8 65.5 1.0 NE B:ARG64 4.9 63.4 1.0 CE2 B:TYR10 4.9 29.0 1.0 C B:TYR10 4.9 33.1 1.0 CG B:ARG64 5.0 49.0 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