Chlorine in PDB 7jw5: Crystal Structure of Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid

The structure of Crystal Structure of Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid, PDB code: 7jw5 was solved by J.H.Z.Lee, J.B.Bruning, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.48 / 1.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.513, 51.486, 78.725, 90, 92.14, 90
R / Rfree (%)	16.6 / 19.8

The structure of Crystal Structure of Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid (pdb code 7jw5). 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 Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid, PDB code: 7jw5:

Chlorine binding site 1 out of 1 in the Crystal Structure of Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid


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 Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:45.6 occ:1.00 OH A:TYR177 2.6 20.1 1.0 O A:HOH878 2.8 29.7 1.0 OD1 A:ASN207 3.3 22.1 1.0 CZ A:TYR177 3.4 20.6 1.0 CE1 A:TYR177 3.5 14.5 1.0 O A:HOH820 3.5 17.9 1.0 ND2 A:ASN207 3.7 24.8 1.0 CG A:ASN207 3.8 20.9 1.0 OE1 A:GLN203 3.9 36.2 1.0 CB A:GLN203 4.0 21.8 1.0 CD A:ARG243 4.0 14.3 1.0 CG A:GLN203 4.1 32.1 1.0 CD A:ARG92 4.1 14.9 1.0 CA A:GLN203 4.2 16.6 1.0 CB A:ARG92 4.4 16.3 1.0 O A:GLN203 4.4 17.9 1.0 CD A:GLN203 4.4 35.6 1.0 NH2 A:ARG243 4.5 17.0 1.0 CG A:ARG243 4.7 11.8 1.0 CE2 A:TYR177 4.7 14.3 1.0 CD1 A:TYR177 4.8 17.0 1.0 C A:GLN203 4.8 20.2 1.0 CG A:ARG92 4.9 14.1 1.0 NE A:ARG243 4.9 12.9 1.0 CH2 A:TRP91 4.9 21.1 1.0 CZ3 A:TRP91 4.9 23.7 1.0 NH1 A:ARG92 4.9 15.6 1.0

J.H.Z.Lee, J.B.Bruning, S.G.Bell. Crystal Structure of Wt-CYP199A4 in Complex with 4-Phenylbenzoic Acid To Be Published.