Chlorine in PDB 2awy: Met-Dcrh-Hr

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

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

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

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 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 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

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