Chlorine in PDB 9dy9: The Crystal Structure of F182A CYP199A4 Bound to 4-Methoxybenzoic Acid

The structure of The Crystal Structure of F182A CYP199A4 Bound to 4-Methoxybenzoic Acid, PDB code: 9dy9 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)	40.03 / 1.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.892, 51.533, 77.917, 90, 94, 90
R / Rfree (%)	14.3 / 19.2

The structure of The Crystal Structure of F182A CYP199A4 Bound to 4-Methoxybenzoic Acid also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of F182A CYP199A4 Bound to 4-Methoxybenzoic Acid (pdb code 9dy9). 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 F182A CYP199A4 Bound to 4-Methoxybenzoic Acid, PDB code: 9dy9:

Chlorine binding site 1 out of 1 in the The Crystal Structure of F182A CYP199A4 Bound to 4-Methoxybenzoic 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 F182A CYP199A4 Bound to 4-Methoxybenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:21.8 occ:0.43 O A:HOH1005 2.5 22.0 1.0 OH A:TYR177 2.7 15.2 1.0 OE1 A:GLN203 3.2 21.7 1.0 CD A:GLN203 3.5 31.2 1.0 CB A:ARG92 3.5 14.1 1.0 CG A:GLN203 3.5 18.2 1.0 CE1 A:TYR177 3.5 14.2 1.0 CD A:ARG92 3.5 11.7 1.0 CZ A:TYR177 3.6 12.8 1.0 CZ3 A:TRP91 3.7 20.6 1.0 CH2 A:TRP91 3.7 15.9 1.0 CG A:ARG92 4.1 12.0 1.0 O A:HOH863 4.2 16.7 1.0 CB A:GLN203 4.2 22.6 1.0 O A:HOH646 4.3 30.0 1.0 NE2 A:GLN203 4.4 35.7 1.0 ND2 A:ASN207 4.5 19.7 1.0 NH2 A:ARG243 4.6 10.1 1.0 CZ2 A:TRP91 4.6 16.5 1.0 CE3 A:TRP91 4.6 18.1 1.0 OD1 A:ASN207 4.8 17.1 1.0 CD A:ARG243 4.8 11.6 1.0 NH1 A:ARG92 4.8 13.2 1.0 CA A:ARG92 4.8 13.3 1.0 CD1 A:TYR177 4.8 12.5 1.0 O A:HOH1060 4.8 36.9 1.0 NE A:ARG92 4.8 12.4 1.0 CA A:GLN203 4.9 17.5 1.0 CE2 A:TYR177 4.9 11.3 1.0

M.N.Podgorski, S.G.Bell. Comparing and Combining Alternative Strategies For Enhancing Cytochrome P450 Peroxygenase Activity Acs Catalysis V. 15 5191 2025.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C07486