Atomistry » Chlorine » PDB 6ggo-6gos » 6gmx
Atomistry »
  Chlorine »
    PDB 6ggo-6gos »
      6gmx »

Chlorine in PDB 6gmx: Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One

Protein crystallography data

The structure of Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One, PDB code: 6gmx was solved by I.Van Molle, X.Lucas, A.Ciulli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 94.00 / 2.53
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 94.000, 94.000, 365.490, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 36.1

Other elements in 6gmx:

The structure of Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One also contains other interesting chemical elements:

Arsenic (As) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One (pdb code 6gmx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One, PDB code: 6gmx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6gmx

Go back to Chlorine Binding Sites List in 6gmx
Chlorine binding site 1 out of 2 in the Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:96.5
occ:0.80
CL1 B:F7B201 0.0 96.5 0.8
C09 B:F7B201 1.7 88.8 0.8
C08 B:F7B201 2.7 81.8 0.8
C11 B:F7B201 2.7 84.8 0.8
CB B:PHE109 3.2 36.4 1.0
CG B:PHE109 3.4 36.8 1.0
CD2 B:PHE109 3.6 44.2 1.0
C12 B:F7B201 4.0 82.8 0.8
C07 B:F7B201 4.0 80.0 0.8
OE1 B:GLU64 4.0 70.7 1.0
CA B:ALA106 4.1 38.2 1.0
O B:MET105 4.1 37.8 1.0
CD1 B:PHE109 4.1 46.1 1.0
CG1 B:ILE65 4.2 40.6 1.0
CD1 B:ILE65 4.2 36.7 1.0
CB B:GLU64 4.4 53.1 1.0
C06 B:F7B201 4.5 82.9 0.8
C B:MET105 4.5 38.2 1.0
CD B:GLU64 4.5 65.8 1.0
CE2 B:PHE109 4.5 47.0 1.0
N B:ALA106 4.5 35.9 1.0
CB B:ALA106 4.7 30.4 1.0
CA B:PHE109 4.7 39.4 1.0
O B:ALA106 4.8 40.2 1.0
OE2 B:GLU64 4.9 67.3 1.0
CE1 B:PHE109 4.9 41.8 1.0
C B:ALA106 4.9 40.2 1.0

Chlorine binding site 2 out of 2 in 6gmx

Go back to Chlorine Binding Sites List in 6gmx
Chlorine binding site 2 out of 2 in the Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pvhl:Elob:Eloc in Complex with 6-Chlorothiochroman-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl201

b:93.0
occ:0.84
CL1 K:F7B201 0.0 93.0 0.8
C09 K:F7B201 1.7 94.0 0.8
C08 K:F7B201 2.7 93.1 0.8
C11 K:F7B201 2.7 91.8 0.8
CB K:PHE109 3.3 45.2 1.0
CG K:GLU64 3.5 51.0 0.5
CG K:PHE109 3.7 44.3 1.0
CD2 K:PHE109 3.9 46.3 1.0
O K:MET105 4.0 39.5 1.0
C07 K:F7B201 4.0 93.1 0.8
C12 K:F7B201 4.0 92.7 0.8
OE2 K:GLU64 4.1 47.9 0.5
OE2 K:GLU64 4.1 46.6 0.6
CD K:GLU64 4.2 47.9 0.5
CA K:ALA106 4.2 38.6 1.0
CG1 K:ILE65 4.3 40.0 1.0
C K:MET105 4.5 45.8 1.0
C06 K:F7B201 4.5 98.7 0.8
CD1 K:ILE65 4.5 36.3 1.0
CD1 K:PHE109 4.6 48.2 1.0
N K:ALA106 4.6 42.0 1.0
CB K:GLU64 4.6 52.8 0.5
CB K:GLU64 4.7 53.0 0.6
CA K:PHE109 4.8 39.7 1.0
CE2 K:PHE109 4.8 47.5 1.0
CD K:GLU64 4.9 48.1 0.6
CB K:ALA106 5.0 30.0 1.0
O K:ALA106 5.0 41.2 1.0

Reference:

X.Lucas, I.Van Molle, A.Ciulli. Surface Probing By Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the Von Hippel-Lindau (Vhl) E3 Ubiquitin Ligase. J. Med. Chem. V. 61 7387 2018.
ISSN: ISSN 1520-4804
PubMed: 30040896
DOI: 10.1021/ACS.JMEDCHEM.8B00842
Page generated: Sat Jul 12 14:35:04 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