Chlorine in PDB 1pha: 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: 1pha 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 / 1.63
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 1pha). 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: 1pha:
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:20.0 occ:0.20 CL21 A:PFZ422 0.0 20.0 0.2 C16 A:PFZ422 1.7 20.7 1.0 O2 A:PFZ422 2.6 20.4 1.0 C15 A:PFZ422 2.7 21.2 1.0 C3 A:PFZ422 2.8 20.7 1.0 C1 A:PFZ422 3.2 20.1 1.0 CG2 A:THR101 3.3 21.5 1.0 CD1 A:LEU244 3.3 18.9 1.0 OG1 A:THR101 3.7 22.1 1.0 CB A:THR101 3.8 19.6 1.0 C5 A:PFZ422 3.9 20.0 1.0 N11 A:PFZ422 3.9 19.4 1.0 C14 A:PFZ422 4.0 21.0 1.0 C12 A:PFZ422 4.0 20.7 1.0 CZ A:PHE87 4.1 12.6 1.0 C17 A:PFZ422 4.2 19.4 1.0 O A:HOH709 4.3 20.6 0.8 C20 A:PFZ422 4.4 19.3 1.0 C4 A:PFZ422 4.5 20.2 1.0 C13 A:PFZ422 4.5 21.2 1.0 C6 A:PFZ422 4.6 20.6 1.0 CBA A:HEM417 4.6 9.5 1.0 CG A:LEU244 4.6 18.1 1.0 CHA A:HEM417 4.7 11.5 1.0 OD2 A:ASP297 4.8 14.8 1.0 C18 A:PFZ422 4.8 19.2 1.0 CE1 A:PHE87 4.9 13.0 1.0 N19 A:PFZ422 4.9 18.5 1.0 CD2 A:LEU244 4.9 18.1 1.0 CE2 A:PHE87 5.0 13.3 1.0 C4D A:HEM417 5.0 12.4 1.0 C1A A:HEM417 5.0 11.2 1.0 O2A A:HEM417 5.0 10.0 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:20.0 occ:0.20 CL22 A:PFZ422 0.0 20.0 0.2 C14 A:PFZ422 1.7 21.0 1.0 CG A:ASP297 2.5 10.9 1.0 OD2 A:ASP297 2.5 14.8 1.0 C13 A:PFZ422 2.7 21.2 1.0 C15 A:PFZ422 2.7 21.2 1.0 OD1 A:ASP297 2.7 13.4 1.0 CG1 A:VAL295 2.9 10.4 1.0 NE2 A:GLN322 3.2 7.1 1.0 CB A:ASP297 3.3 10.9 1.0 CBA A:HEM417 3.4 9.5 1.0 OE1 A:GLN322 3.4 8.1 1.0 CD A:GLN322 3.6 8.2 1.0 N A:ASP297 3.8 9.1 1.0 CMA A:HEM417 3.8 10.3 1.0 O2A A:HEM417 3.9 10.0 1.0 CGA A:HEM417 4.0 7.6 1.0 C12 A:PFZ422 4.0 20.7 1.0 C16 A:PFZ422 4.0 20.7 1.0 CA A:ASP297 4.1 10.5 1.0 C3A A:HEM417 4.2 11.5 1.0 CAA A:HEM417 4.4 9.8 1.0 CB A:VAL295 4.4 8.1 1.0 C A:ALA296 4.4 7.2 1.0 C2A A:HEM417 4.5 10.9 1.0 C3 A:PFZ422 4.5 20.7 1.0 CG A:GLN322 4.8 9.7 1.0 CE1 A:PHE87 4.8 13.0 1.0 N A:ALA296 4.8 6.8 1.0 O1A A:HEM417 4.9 8.1 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