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Chlorine in PDB 2awy: Met-Dcrh-Hr

Protein crystallography data

The structure of Met-Dcrh-Hr, PDB code: 2awy was solved by C.E.Isaza, R.Silaghi-Dumitrescu, R.B.Iyer, D.M.Kurtz, M.K.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 33.160, 44.846, 47.538, 92.76, 103.49, 90.00
R / Rfree (%) 22.1 / 28

Other elements in 2awy:

The structure of Met-Dcrh-Hr also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Met-Dcrh-Hr (pdb code 2awy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Met-Dcrh-Hr, PDB code: 2awy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2awy

Go back to Chlorine Binding Sites List in 2awy
Chlorine binding site 1 out of 2 in the Met-Dcrh-Hr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Met-Dcrh-Hr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:29.4
occ:1.00
FE2 A:FEO201 2.3 23.4 1.0
O A:FEO201 2.9 21.6 1.0
NE2 A:HIS23 3.1 23.4 1.0
NE2 A:HIS59 3.2 24.6 1.0
CD2 A:HIS23 3.3 24.2 1.0
OD2 A:ASP123 3.3 22.9 1.0
CD2 A:HIS59 3.5 21.2 1.0
CD1 A:LEU115 3.7 33.6 1.0
CD2 A:HIS118 3.7 23.2 1.0
CG1 A:ILE119 3.8 25.5 1.0
CD1 A:LEU26 3.9 31.1 1.0
CE1 A:HIS23 4.1 20.1 1.0
CD1 A:ILE119 4.3 26.1 1.0
CE2 A:PHE60 4.3 28.9 1.0
CG A:ASP123 4.4 23.9 1.0
OE2 A:GLU63 4.4 22.4 1.0
CG A:HIS23 4.4 22.1 1.0
CE1 A:HIS59 4.5 25.8 1.0
NE2 A:HIS118 4.5 24.8 1.0
CZ3 A:TRP114 4.6 28.8 1.0
FE1 A:FEO201 4.7 23.4 1.0
CG A:HIS118 4.7 25.6 1.0
OD1 A:ASP123 4.8 20.8 1.0
CG A:HIS59 4.8 23.8 1.0
CG A:LEU115 4.9 34.4 1.0
ND1 A:HIS23 4.9 23.2 1.0

Chlorine binding site 2 out of 2 in 2awy

Go back to Chlorine Binding Sites List in 2awy
Chlorine binding site 2 out of 2 in the Met-Dcrh-Hr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Met-Dcrh-Hr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:30.1
occ:1.00
FE2 B:FEO203 2.4 24.2 1.0
O B:FEO203 3.0 22.6 1.0
NE2 B:HIS23 3.1 23.6 1.0
CD2 B:HIS23 3.4 19.5 1.0
NE2 B:HIS59 3.4 23.2 1.0
OD2 B:ASP123 3.4 24.4 1.0
CD1 B:LEU115 3.6 35.5 1.0
CD2 B:HIS59 3.6 21.0 1.0
CD1 B:LEU26 3.8 31.9 1.0
CG1 B:ILE119 3.9 28.5 1.0
CD2 B:HIS118 3.9 24.3 1.0
CE1 B:HIS23 4.2 21.4 1.0
CE2 B:PHE60 4.3 23.9 1.0
CD1 B:ILE119 4.4 29.6 1.0
OE2 B:GLU63 4.5 26.1 1.0
CG B:HIS23 4.5 22.7 1.0
CG B:ASP123 4.6 24.6 1.0
CZ3 B:TRP114 4.6 31.6 1.0
CE1 B:HIS59 4.6 24.7 1.0
CG B:LEU115 4.7 35.8 1.0
FE1 B:FEO203 4.7 23.8 1.0
CG B:HIS118 4.8 24.1 1.0
NE2 B:HIS118 4.8 25.3 1.0
CG B:HIS59 4.9 21.8 1.0
ND1 B:HIS23 5.0 22.5 1.0
OD1 B:ASP123 5.0 22.2 1.0

Reference:

C.E.Isaza, R.Silaghi-Dumitrescu, R.B.Iyer, D.M.Kurtz, M.K.Chan. Structural Basis For O(2) Sensing By the Hemerythrin-Like Domain of A Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus Biochemistry V. 45 9023 2006.
ISSN: ISSN 0006-2960
PubMed: 16866347
DOI: 10.1021/BI0607812
Page generated: Sat Dec 12 08:59:21 2020

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