Chlorine in PDB 7tzw: The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid, PDB code: 7tzw 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)	35.97 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.19, 51.183, 79.027, 90, 92.09, 90
R / Rfree (%)	16.3 / 18.7

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

Magnesium	(Mg)	2 atoms
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid (pdb code 7tzw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid, PDB code: 7tzw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic 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 Wt CYP199A4 Bound to 4-Chlorobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:9.5 occ:1.00 CL4 A:174501 0.0 9.5 1.0 C4 A:174501 1.8 6.0 1.0 C3 A:174501 2.7 6.2 1.0 C5 A:174501 2.7 9.1 1.0 H3 A:174501 2.8 7.5 1.0 H5 A:174501 2.8 11.0 1.0 CE1 A:PHE182 3.6 10.6 1.0 CZ A:PHE182 3.7 7.6 1.0 CZ A:PHE298 3.7 8.7 1.0 NA A:HEM502 3.9 5.5 1.0 CE2 A:PHE298 3.9 9.8 1.0 C2 A:174501 4.0 7.0 1.0 C6 A:174501 4.0 8.3 1.0 CB A:ALA248 4.1 10.2 1.0 C1A A:HEM502 4.1 6.5 1.0 C4A A:HEM502 4.2 6.0 1.0 FE A:HEM502 4.4 7.1 1.0 ND A:HEM502 4.4 4.9 1.0 CHA A:HEM502 4.5 6.6 1.0 C4D A:HEM502 4.5 5.4 1.0 C1 A:174501 4.5 7.7 1.0 C2A A:HEM502 4.6 5.6 1.0 C3A A:HEM502 4.7 6.9 1.0 CG2 A:THR252 4.7 11.8 1.0 CHB A:HEM502 4.7 7.4 1.0 H2 A:174501 4.7 8.4 1.0 H6 A:174501 4.7 10.0 1.0 CG2 A:VAL295 4.7 14.0 1.0 CA A:ALA248 4.9 10.0 1.0 CD1 A:PHE182 4.9 9.2 1.0 CE1 A:PHE298 4.9 8.6 1.0 NB A:HEM502 4.9 6.2 1.0 CE2 A:PHE182 5.0 10.0 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:27.3 occ:1.00 OH A:TYR177 2.5 10.8 1.0 O A:HOH793 2.7 14.7 1.0 OD1 A:ASN207 2.9 13.5 1.0 CZ A:TYR177 3.3 8.2 1.0 CE1 A:TYR177 3.3 7.2 1.0 O A:HOH823 3.4 13.6 1.0 CG A:ASN207 3.6 12.8 1.0 ND2 A:ASN207 3.6 12.6 1.0 CD A:ARG243 3.8 7.6 1.0 CB A:GLN203 4.0 9.4 1.0 CA A:GLN203 4.1 8.7 1.0 CG A:GLN203 4.1 9.5 1.0 O A:GLN203 4.2 11.3 1.0 CD A:ARG92 4.3 8.1 1.0 OE1 A:GLN203 4.4 15.5 1.0 CG A:ARG243 4.4 6.9 1.0 NH2 A:ARG243 4.6 8.6 1.0 CE2 A:TYR177 4.6 8.6 1.0 CD1 A:TYR177 4.6 7.3 1.0 CB A:ARG92 4.6 10.5 1.0 C A:GLN203 4.6 11.5 1.0 CD A:GLN203 4.7 14.8 1.0 CG1 A:VAL206 4.7 12.2 1.0 NE A:ARG243 4.8 6.9 1.0 NH1 A:ARG92 4.9 10.1 1.0 CB A:VAL206 4.9 7.3 1.0 CB A:ASN207 5.0 11.0 1.0

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