Chlorine in PDB 7r8t: High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid

The structure of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid, PDB code: 7r8t 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)	44.24 / 1.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.27, 51.4, 79.197, 90, 91.95, 90
R / Rfree (%)	15.3 / 18

The structure of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid (pdb code 7r8t). 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 High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid, PDB code: 7r8t:

Chlorine binding site 1 out of 1 in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:37.0 occ:0.60 OH A:TYR177 2.7 15.6 1.0 O A:HOH977 2.7 26.9 1.0 OE1 A:GLN203 3.3 32.1 1.0 CE1 A:TYR177 3.5 14.1 1.0 CZ A:TYR177 3.5 15.9 1.0 O A:HOH840 3.7 17.0 1.0 OD1 A:ASN207 3.8 17.3 1.0 CD A:ARG92 3.8 12.2 1.0 CG A:GLN203 3.8 26.6 1.0 CB A:ARG92 3.9 13.7 1.0 CD A:GLN203 4.0 36.1 1.0 ND2 A:ASN207 4.0 17.6 1.0 CB A:GLN203 4.0 18.9 1.0 CD A:ARG243 4.2 11.3 1.0 CG A:ASN207 4.3 17.8 1.0 CA A:GLN203 4.4 14.5 1.0 CH2 A:TRP91 4.5 17.8 1.0 NH2 A:ARG243 4.5 13.1 1.0 CG A:ARG92 4.5 13.4 1.0 CZ3 A:TRP91 4.5 22.1 1.0 CD1 A:TYR177 4.8 13.3 1.0 NH1 A:ARG92 4.8 11.7 1.0 CE2 A:TYR177 4.8 13.0 1.0 O A:GLN203 4.8 14.6 1.0 NE A:ARG243 4.9 12.3 1.0

M.N.Podgorski, S.G.Bell. High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid To Be Published.