Chlorine in PDB 6qkw: Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR, PDB code: 6qkw was solved by P.Mehrabi, T.H.Kim, R.S.Prosser, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.65 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.750, 79.370, 85.010, 90.00, 103.01, 90.00
R / Rfree (%)	16.9 / 19.5

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR (pdb code 6qkw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR, PDB code: 6qkw:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR


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 the Fluoroacetate Dehalogenase RPA1163 - TYR219PHE - Fluoroacetate Soaked 2HR within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:34.7 occ:1.00 O A:HOH713 2.3 22.7 1.0 NE A:ARG114 2.9 6.5 1.0 OD1 A:ASP110 3.1 13.4 1.0 O A:HOH723 3.1 23.9 1.0 NH1 A:ARG114 3.3 8.3 1.0 CG A:ASP110 3.3 7.5 1.0 O A:HOH534 3.5 21.2 1.0 CZ A:ARG114 3.5 4.8 1.0 NH1 A:ARG111 3.6 7.7 1.0 OD2 A:ASP110 3.6 6.0 1.0 C A:ASP110 3.8 5.9 1.0 CA A:ASP110 3.8 5.2 1.0 CD A:ARG111 3.8 6.2 1.0 N A:ARG111 3.9 5.9 1.0 O A:HOH635 3.9 24.4 1.0 CD A:ARG114 3.9 8.1 1.0 CZ2 A:TRP156 4.0 11.5 1.0 CB A:ASP110 4.2 5.8 1.0 CG2 A:ILE135 4.3 8.7 1.0 O A:ASP110 4.3 6.0 1.0 CZ A:ARG111 4.5 7.7 1.0 CA A:ARG111 4.6 5.5 1.0 NE A:ARG111 4.6 6.8 1.0 CG A:ARG114 4.7 7.4 1.0 NE1 A:TRP156 4.7 10.0 1.0 CE2 A:TRP156 4.7 9.2 1.0 NH2 A:ARG114 4.8 6.6 1.0 CG A:ARG111 4.9 4.9 1.0 CH2 A:TRP156 5.0 8.1 1.0

P.Mehrabi, C.Di Pietrantonio, T.H.Kim, A.Sljoka, K.Taverner, C.Ing, N.Kruglyak, R.Pomes, E.F.Pai, R.S.Prosser. Substrate-Based Allosteric Regulation of A Homodimeric Enzyme. J.Am.Chem.Soc. V. 141 11540 2019.
ISSN: ESSN 1520-5126
PubMed: 31188575
DOI: 10.1021/JACS.9B03703