Atomistry » Chlorine » PDB 5nym-5o5m » 5o4k
Atomistry »
  Chlorine »
    PDB 5nym-5o5m »
      5o4k »

Chlorine in PDB 5o4k: Crystal Structure of P450 CYP121 in Complex with Compound 6B.

Enzymatic activity of Crystal Structure of P450 CYP121 in Complex with Compound 6B.

All present enzymatic activity of Crystal Structure of P450 CYP121 in Complex with Compound 6B.:
1.14.21.9;

Protein crystallography data

The structure of Crystal Structure of P450 CYP121 in Complex with Compound 6B., PDB code: 5o4k was solved by C.W.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.23 / 1.50
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.625, 77.625, 264.291, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 17.4

Other elements in 5o4k:

The structure of Crystal Structure of P450 CYP121 in Complex with Compound 6B. also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of P450 CYP121 in Complex with Compound 6B. (pdb code 5o4k). 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 Crystal Structure of P450 CYP121 in Complex with Compound 6B., PDB code: 5o4k:

Chlorine binding site 1 out of 1 in 5o4k

Go back to Chlorine Binding Sites List in 5o4k
Chlorine binding site 1 out of 1 in the Crystal Structure of P450 CYP121 in Complex with Compound 6B.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of P450 CYP121 in Complex with Compound 6B. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:39.0
occ:1.00
CL1 A:9KE405 0.0 39.0 1.0
C20 A:9KE405 1.7 27.9 1.0
C22 A:9KE405 2.7 31.2 1.0
C19 A:9KE405 2.7 22.6 1.0
O A:HOH979 2.7 32.3 1.0
CE2 A:PHE168 3.7 14.8 1.0
O A:HOH773 3.7 24.2 1.0
CZ A:PHE168 3.7 14.5 1.0
C18 A:9KE405 3.9 30.3 1.0
C23 A:9KE405 3.9 34.3 1.0
O A:VAL228 4.0 12.9 1.0
CA A:GLY232 4.0 12.0 1.0
CA A:THR229 4.3 12.9 1.0
C A:GLY232 4.5 12.1 1.0
N A:ALA233 4.5 11.8 1.0
C17 A:9KE405 4.5 26.7 1.0
CZ3 A:TRP182 4.5 15.9 1.0
O A:THR229 4.6 13.1 1.0
CG1 A:VAL228 4.6 15.8 1.0
C A:VAL228 4.6 13.0 1.0
N A:GLY232 4.6 11.5 1.0
CB A:ALA167 4.8 13.3 1.0
CD2 A:PHE168 4.8 14.3 1.0
N A:THR229 4.8 12.5 1.0
CE1 A:PHE168 4.9 17.6 1.0
C A:THR229 4.9 13.5 1.0
CD2 A:LEU164 4.9 18.3 1.0

Reference:

I.M.Taban, H.E.A.E.Elshihawy, B.Torun, B.Zucchini, C.J.Williamson, D.Altuwairigi, A.S.T.Ngu, K.J.Mclean, C.W.Levy, S.Sood, L.B.Marino, A.W.Munro, L.P.S.De Carvalho, C.Simons. Novel Aryl Substituted Pyrazoles As Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem. V. 60 10257 2017.
ISSN: ISSN 1520-4804
PubMed: 29185746
DOI: 10.1021/ACS.JMEDCHEM.7B01562
Page generated: Sat Dec 12 12:11:34 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy