Chlorine in PDB 8voc: The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid

The structure of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid, PDB code: 8voc was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.19 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.225, 51.39, 79.371, 90, 91.98, 90
R / Rfree (%)	14.7 / 16.3

The structure of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Fluorine	(F)	3 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid (pdb code 8voc). 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 The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid, PDB code: 8voc:

Chlorine binding site 1 out of 1 in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Trifluoromethoxybenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:40.0 occ:1.00 OH A:TYR177 2.5 17.2 1.0 O A:HOH976 2.8 24.4 1.0 CZ A:TYR177 3.4 15.7 1.0 CE1 A:TYR177 3.4 14.6 1.0 OD1 A:ASN207 3.5 19.3 1.0 O A:HOH861 3.6 17.2 1.0 OE1 A:GLN203 3.7 34.4 1.0 ND2 A:ASN207 3.8 21.1 1.0 CG A:GLN203 3.8 24.6 1.0 CB A:GLN203 3.9 19.8 1.0 CG A:ASN207 4.0 21.0 1.0 CD A:ARG243 4.1 12.6 1.0 CD A:ARG92 4.1 14.3 1.0 CA A:GLN203 4.2 17.7 1.0 CD A:GLN203 4.2 28.9 1.0 CB A:ARG92 4.3 14.7 1.0 NH2 A:ARG243 4.6 12.8 1.0 O A:GLN203 4.6 17.5 1.0 CE2 A:TYR177 4.7 13.7 1.0 CD1 A:TYR177 4.7 13.8 1.0 CH2 A:TRP91 4.8 15.3 1.0 CG A:ARG243 4.8 10.3 1.0 CZ3 A:TRP91 4.8 20.3 1.0 NH1 A:ARG92 4.8 12.9 1.0 CG A:ARG92 4.9 12.2 1.0 C A:GLN203 4.9 17.8 1.0 NE A:ARG243 4.9 11.3 1.0

M.N.Podgorski, S.G.Bell. The Crystal Structure of Wild-Type CYP199A4 Bound to 4-Trifluoromethoxybenzoic Acid To Be Published.