Chlorine in PDB 1phb: Inhibitor-Induced Conformational Change in Cytochrome P450-Cam

All present enzymatic activity of Inhibitor-Induced Conformational Change in Cytochrome P450-Cam:
1.14.15.1;

The structure of Inhibitor-Induced Conformational Change in Cytochrome P450-Cam, PDB code: 1phb was solved by T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.670, 103.900, 36.380, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Inhibitor-Induced Conformational Change in Cytochrome P450-Cam also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Inhibitor-Induced Conformational Change in Cytochrome P450-Cam (pdb code 1phb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Inhibitor-Induced Conformational Change in Cytochrome P450-Cam, PDB code: 1phb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Inhibitor-Induced Conformational Change in Cytochrome P450-Cam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibitor-Induced Conformational Change in Cytochrome P450-Cam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl422 b:28.0 occ:0.20 CL21 A:PFZ422 0.0 28.0 0.2 C16 A:PFZ422 1.7 28.1 1.0 C7 A:PFZ422 2.1 27.9 1.0 C4 A:PFZ422 2.6 27.9 1.0 C8 A:PFZ422 2.6 26.9 1.0 C15 A:PFZ422 2.7 28.1 1.0 C3 A:PFZ422 2.8 27.8 1.0 C6 A:PFZ422 2.8 28.2 1.0 C1 A:PFZ422 3.2 27.6 1.0 CG2 A:THR101 3.5 22.6 1.0 CD1 A:LEU244 3.6 19.9 1.0 C9 A:PFZ422 3.8 27.4 1.0 OG1 A:THR101 3.9 22.6 1.0 C14 A:PFZ422 4.0 28.7 1.0 CB A:THR101 4.0 20.3 1.0 C12 A:PFZ422 4.0 28.2 1.0 O2 A:PFZ422 4.1 27.4 1.0 C17 A:PFZ422 4.1 25.1 1.0 CZ A:PHE87 4.3 21.4 1.0 CE1 A:PHE87 4.4 19.9 1.0 C5 A:PFZ422 4.4 27.2 1.0 N11 A:PFZ422 4.4 25.4 1.0 C10 A:PFZ422 4.5 26.9 1.0 C13 A:PFZ422 4.5 28.2 1.0 OD2 A:ASP297 4.7 16.4 1.0 CBA A:HEM417 4.7 10.1 1.0 O A:HOH712 4.9 20.5 0.9 C18 A:PFZ422 4.9 25.5 1.0 CG A:LEU244 5.0 20.0 1.0 O2A A:HEM417 5.0 11.3 1.0

Chlorine binding site 2 out of 2 in the Inhibitor-Induced Conformational Change in Cytochrome P450-Cam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibitor-Induced Conformational Change in Cytochrome P450-Cam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl422 b:28.0 occ:0.20 CL22 A:PFZ422 0.0 28.0 0.2 C14 A:PFZ422 1.7 28.7 1.0 C13 A:PFZ422 2.7 28.2 1.0 OD1 A:ASP297 2.7 16.9 1.0 C15 A:PFZ422 2.7 28.1 1.0 CG A:ASP297 2.7 14.0 1.0 OD2 A:ASP297 2.9 16.4 1.0 CG1 A:VAL295 3.0 10.4 1.0 NE2 A:GLN322 3.2 9.7 1.0 CB A:ASP297 3.3 14.6 1.0 OE1 A:GLN322 3.3 10.1 1.0 CBA A:HEM417 3.5 10.1 1.0 N A:ASP297 3.5 12.1 1.0 CD A:GLN322 3.5 8.3 1.0 CA A:ASP297 3.9 12.7 1.0 CMA A:HEM417 3.9 11.1 1.0 C12 A:PFZ422 4.0 28.2 1.0 C16 A:PFZ422 4.0 28.1 1.0 O2A A:HEM417 4.1 11.3 1.0 CGA A:HEM417 4.1 9.7 1.0 C A:ALA296 4.2 10.3 1.0 C3A A:HEM417 4.4 12.2 1.0 CB A:VAL295 4.5 8.9 1.0 C3 A:PFZ422 4.5 27.8 1.0 CAA A:HEM417 4.5 10.8 1.0 N A:ALA296 4.6 8.4 1.0 C2A A:HEM417 4.6 11.4 1.0 CG A:GLN322 4.7 9.9 1.0 CA A:ALA296 4.8 10.2 1.0 C A:ASP297 4.8 12.8 1.0 O A:ALA296 4.9 11.2 1.0 C A:VAL295 4.9 7.2 1.0 OH A:TYR75 5.0 10.2 1.0

R.Raag, H.Li, B.C.Jones, T.L.Poulos. Inhibitor-Induced Conformational Change in Cytochrome P-450CAM. Biochemistry V. 32 4571 1993.
ISSN: ISSN 0006-2960
PubMed: 8485133
DOI: 10.1021/BI00068A013