Atomistry » Chlorine » PDB 7thh-7tp5 » 7tp5
Atomistry »
  Chlorine »
    PDB 7thh-7tp5 »
      7tp5 »

Chlorine in PDB 7tp5: The Crystal Structure of T252E CYP199A4 Bound to 4-Ethylthiobenzoic Acid

Protein crystallography data

The structure of The Crystal Structure of T252E CYP199A4 Bound to 4-Ethylthiobenzoic Acid, PDB code: 7tp5 was solved by M.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.70 / 1.66
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 40.73, 51.5, 79.28, 90, 92.3, 90
R / Rfree (%) 16.7 / 20.4

Other elements in 7tp5:

The structure of The Crystal Structure of T252E CYP199A4 Bound to 4-Ethylthiobenzoic Acid also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of T252E CYP199A4 Bound to 4-Ethylthiobenzoic Acid (pdb code 7tp5). 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 T252E CYP199A4 Bound to 4-Ethylthiobenzoic Acid, PDB code: 7tp5:

Chlorine binding site 1 out of 1 in 7tp5

Go back to Chlorine Binding Sites List in 7tp5
Chlorine binding site 1 out of 1 in the The Crystal Structure of T252E CYP199A4 Bound to 4-Ethylthiobenzoic 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 T252E CYP199A4 Bound to 4-Ethylthiobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:44.1
occ:1.00
OH A:TYR177 2.9 18.0 1.0
O A:HOH799 3.3 20.8 1.0
OD1 A:ASN207 3.4 25.0 1.0
CB A:GLN203 3.5 16.7 1.0
CE1 A:TYR177 3.6 11.7 1.0
CZ A:TYR177 3.6 16.3 1.0
OE1 A:GLN203 3.7 25.2 1.0
CG A:GLN203 3.7 20.3 1.0
CA A:GLN203 3.7 15.6 1.0
ND2 A:ASN207 3.8 29.4 1.0
CG A:ASN207 3.9 26.5 1.0
O A:GLN203 4.0 16.4 1.0
CD A:GLN203 4.1 26.9 1.0
CD A:ARG243 4.2 14.6 1.0
C A:GLN203 4.3 14.2 1.0
CG1 A:VAL206 4.6 14.6 1.0
O A:HOH901 4.6 30.7 1.0
CB A:ARG92 4.7 11.8 1.0
CD A:ARG92 4.7 12.0 1.0
NH2 A:ARG243 4.8 14.1 1.0
CB A:VAL206 4.8 16.9 1.0
CD1 A:TYR177 4.8 12.1 1.0
CG A:ARG243 4.9 9.1 1.0
CE2 A:TYR177 4.9 11.4 1.0
N A:GLN203 5.0 16.7 1.0

Reference:

M.N.Podgorski, T.Coleman, L.R.Churchman, J.B.Bruning, J.J.De Voss, S.G.Bell. Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry V. 28 02428 2022.
ISSN: ISSN 0947-6539
PubMed: 36169207
DOI: 10.1002/CHEM.202202428
Page generated: Sun Jul 13 07:35:11 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy