Chlorine in PDB 5yqa: The Crystal Structure of CYP199A4 Binding with 4-N-Propyl Benzoic Acid

The structure of The Crystal Structure of CYP199A4 Binding with 4-N-Propyl Benzoic Acid, PDB code: 5yqa was solved by W.Zhou, T.Zhang, R.Qiao, S.Bell, T.Coleman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.35 / 1.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.860, 51.377, 79.588, 90.00, 92.07, 90.00
R / Rfree (%)	17.9 / 19.6

The structure of The Crystal Structure of CYP199A4 Binding with 4-N-Propyl Benzoic Acid also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of CYP199A4 Binding with 4-N-Propyl Benzoic Acid (pdb code 5yqa). 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 CYP199A4 Binding with 4-N-Propyl Benzoic Acid, PDB code: 5yqa:

Chlorine binding site 1 out of 1 in the The Crystal Structure of CYP199A4 Binding with 4-N-Propyl Benzoic 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 CYP199A4 Binding with 4-N-Propyl Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:30.0 occ:1.00 O A:HOH954 2.6 22.3 1.0 OH A:TYR177 2.8 14.3 1.0 NE2 A:GLN203 3.3 26.1 1.0 O A:HOH843 3.6 17.8 1.0 CE1 A:TYR177 3.6 12.7 1.0 CZ A:TYR177 3.7 14.0 1.0 CB A:ARG92 3.7 12.9 1.0 CG A:GLN203 3.7 22.0 1.0 CD A:ARG92 3.8 11.5 1.0 OD1 A:ASN207 3.9 24.3 1.0 ND2 A:ASN207 4.0 15.8 1.0 CD A:GLN203 4.0 27.1 1.0 CB A:GLN203 4.1 18.0 1.0 CZ3 A:TRP91 4.3 18.4 1.0 CG A:ARG92 4.3 11.9 1.0 CH2 A:TRP91 4.3 15.3 1.0 CG A:ASN207 4.4 18.7 1.0 CD A:ARG243 4.4 10.4 1.0 NH2 A:ARG243 4.4 11.7 1.0 CA A:GLN203 4.5 16.4 1.0 NH1 A:ARG92 4.8 11.0 1.0 CD1 A:TYR177 5.0 13.2 1.0 CA A:ARG92 5.0 11.5 1.0

T.Coleman, T.Zhang, R.Qiao, W.Zhou, S.Beii. The Crystal Structure of CYP199A4 Binding with 4-N-Propyl Benzoic Acid To Be Published.