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

Protein crystallography data

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

Other elements in 2hek:

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

Chlorine Binding Sites:

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 2hek

Go back to Chlorine Binding Sites List in 2hek
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 2hek

Go back to Chlorine Binding Sites List in 2hek
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 2hek

Go back to Chlorine Binding Sites List in 2hek
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 2hek

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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 2hek

Go back to Chlorine Binding Sites List in 2hek
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

Reference:

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
Page generated: Sat Dec 12 09:07:15 2020

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