Atomistry » Chlorine » PDB 7aw4-7b1s » 7axk
Atomistry »
  Chlorine »
    PDB 7aw4-7b1s »
      7axk »

Chlorine in PDB 7axk: Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan

Protein crystallography data

The structure of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan, PDB code: 7axk was solved by T.Huet, V.Delfosse, W.Bourguet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.05 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 92.109, 92.109, 86.12, 90, 90, 90
R / Rfree (%) 17.9 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan (pdb code 7axk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan, PDB code: 7axk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7axk

Go back to Chlorine Binding Sites List in 7axk
Chlorine binding site 1 out of 6 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan


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 the Hpxr-Lbd in Complex with Estradiol and Endosulfan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:64.5
occ:0.65
 CL1 A:S68503 0.0 64.5 0.7
CAL A:S68503 1.7 50.7 0.7
CAR A:S68503 2.7 65.7 0.7
CAM A:S68503 2.7 56.3 0.7
CL5 A:S68503 3.0 60.1 0.7
CL2 A:S68503 3.4 61.5 0.7
CAH A:S68503 3.5 61.2 0.7
CAN A:S68503 3.6 65.1 0.7
CE1 A:PHE288 3.6 29.2 1.0
CG A:TRP299 3.6 18.6 1.0
CD1 A:PHE288 3.8 27.5 1.0
CB A:TRP299 3.8 16.1 1.0
CAQ A:S68503 3.8 68.4 0.7
CAS A:S68503 3.8 64.4 0.7
CZ A:PHE288 3.8 26.2 1.0
CD2 A:TRP299 3.9 20.2 1.0
CD2 A:TYR306 4.0 27.6 1.0
CL4 A:S68503 4.0 80.3 0.7
CD1 A:TRP299 4.1 17.6 1.0
CG A:PHE288 4.1 24.8 1.0
CE2 A:PHE288 4.1 39.8 1.0
CD2 A:PHE288 4.3 29.7 1.0
CAO A:S68503 4.3 69.1 0.7
CE3 A:TRP299 4.3 23.2 1.0
CE2 A:TRP299 4.4 23.5 1.0
CE2 A:TYR306 4.5 28.9 1.0
CG A:TYR306 4.5 23.7 1.0
NE1 A:TRP299 4.5 21.1 1.0
CAI A:S68503 4.6 60.7 0.7
CB A:TYR306 4.7 22.3 1.0
SG A:CYS301 4.9 21.8 1.0
OAJ A:S68503 4.9 49.0 0.7
CB A:PHE288 4.9 17.1 1.0

Chlorine binding site 2 out of 6 in 7axk

Go back to Chlorine Binding Sites List in 7axk
Chlorine binding site 2 out of 6 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:61.5
occ:0.65
 CL2 A:S68503 0.0 61.5 0.7
CAM A:S68503 1.7 56.3 0.7
CAS A:S68503 2.7 64.4 0.7
CAL A:S68503 2.7 50.7 0.7
CL6 A:S68503 3.0 65.6 0.7
OE1 A:GLN285 3.3 29.3 1.0
CL1 A:S68503 3.4 64.5 0.7
NE1 A:TRP299 3.4 21.1 1.0
CD2 A:PHE288 3.5 29.7 1.0
CB A:PHE288 3.5 17.1 1.0
CG A:PHE288 3.5 24.8 1.0
CAI A:S68503 3.5 60.7 0.7
CE2 A:TRP299 3.6 23.5 1.0
NE2 A:HIS327 3.6 25.7 1.0
CAO A:S68503 3.7 69.1 0.7
CAR A:S68503 3.9 65.7 0.7
CAQ A:S68503 3.9 68.4 0.7
CZ2 A:TRP299 3.9 24.5 1.0
CD1 A:TRP299 3.9 17.6 1.0
CE1 A:HIS327 4.0 20.1 1.0
CD A:GLN285 4.2 34.3 1.0
CD2 A:TRP299 4.2 20.2 1.0
CE2 A:PHE288 4.2 39.8 1.0
CL4 A:S68503 4.2 80.3 0.7
NE2 A:GLN285 4.3 45.4 1.0
CD1 A:PHE288 4.3 27.5 1.0
CAN A:S68503 4.4 65.1 0.7
CG A:TRP299 4.4 18.6 1.0
CD2 A:HIS327 4.4 19.4 1.0
CH2 A:TRP299 4.7 29.3 1.0
CAH A:S68503 4.8 61.2 0.7
ND1 A:HIS327 4.9 19.2 1.0
OAK A:S68503 4.9 67.1 0.7
CZ A:PHE288 4.9 26.2 1.0
CA A:PHE288 4.9 16.9 1.0
CE1 A:PHE288 5.0 29.2 1.0

Chlorine binding site 3 out of 6 in 7axk

Go back to Chlorine Binding Sites List in 7axk
Chlorine binding site 3 out of 6 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:73.6
occ:0.65
 CL3 A:S68503 0.0 73.6 0.7
CAQ A:S68503 1.8 68.4 0.7
CAR A:S68503 2.7 65.7 0.7
CL4 A:S68503 2.8 80.3 0.7
CAN A:S68503 2.9 65.1 0.7
CAS A:S68503 3.0 64.4 0.7
CAO A:S68503 3.0 69.1 0.7
CD2 A:LEU209 3.2 55.0 1.0
CD1 A:LEU209 3.4 51.1 1.0
CL5 A:S68503 3.5 60.1 0.7
CE A:MET243 3.7 36.6 0.6
CG A:LEU209 3.8 64.3 1.0
CAL A:S68503 3.9 50.7 0.7
CL6 A:S68503 3.9 65.6 0.7
CAM A:S68503 4.0 56.3 0.7
SD A:MET243 4.1 37.5 0.6
CB A:LEU209 4.4 53.8 1.0
CAH A:S68503 4.4 61.2 0.7
CAI A:S68503 4.5 60.7 0.7
CE A:MET243 4.6 38.0 0.4
C18 A:EST501 4.8 51.2 1.0
SD A:MET243 4.9 34.1 0.4

Chlorine binding site 4 out of 6 in 7axk

Go back to Chlorine Binding Sites List in 7axk
Chlorine binding site 4 out of 6 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:80.3
occ:0.65
 CL4 A:S68503 0.0 80.3 0.7
CAQ A:S68503 1.7 68.4 0.7
CAR A:S68503 2.6 65.7 0.7
CAS A:S68503 2.7 64.4 0.7
CL3 A:S68503 2.8 73.6 0.7
CAL A:S68503 2.9 50.7 0.7
CAM A:S68503 3.0 56.3 0.7
CZ3 A:TRP299 3.0 31.5 1.0
CL5 A:S68503 3.2 60.1 0.7
CH2 A:TRP299 3.3 29.3 1.0
CD1 A:LEU209 3.3 51.1 1.0
CE3 A:TRP299 3.5 23.2 1.0
CL6 A:S68503 3.5 65.6 0.7
CD2 A:LEU209 3.8 55.0 1.0
CZ2 A:TRP299 3.9 24.5 1.0
CAN A:S68503 3.9 65.1 0.7
CAO A:S68503 3.9 69.1 0.7
CL1 A:S68503 4.0 64.5 0.7
CD2 A:TRP299 4.0 20.2 1.0
CG A:LEU209 4.1 64.3 1.0
CG1 A:VAL211 4.1 30.0 1.0
CE2 A:TRP299 4.2 23.5 1.0
CL2 A:S68503 4.2 61.5 0.7

Chlorine binding site 5 out of 6 in 7axk

Go back to Chlorine Binding Sites List in 7axk
Chlorine binding site 5 out of 6 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:60.1
occ:0.65
 CL5 A:S68503 0.0 60.1 0.7
CAR A:S68503 1.8 65.7 0.7
CAL A:S68503 2.7 50.7 0.7
CAQ A:S68503 2.9 68.4 0.7
CAN A:S68503 2.9 65.1 0.7
CL1 A:S68503 3.0 64.5 0.7
CL4 A:S68503 3.2 80.3 0.7
CAH A:S68503 3.4 61.2 0.7
CL3 A:S68503 3.5 73.6 0.7
CG A:TYR306 3.5 23.7 1.0
CE A:MET243 3.6 38.0 0.4
CB A:TYR306 3.7 22.3 1.0
CD1 A:TYR306 3.7 21.5 1.0
CAM A:S68503 3.8 56.3 0.7
SD A:MET243 3.9 34.1 0.4
CD2 A:TYR306 3.9 27.6 1.0
CAS A:S68503 4.0 64.4 0.7
CAO A:S68503 4.1 69.1 0.7
CE1 A:TYR306 4.3 28.4 1.0
CE A:MET243 4.3 36.6 0.6
CG2 A:VAL211 4.4 28.4 1.0
CE2 A:TYR306 4.4 28.9 1.0
CZ A:TYR306 4.6 31.4 1.0
OAJ A:S68503 4.7 49.0 0.7
CG1 A:VAL211 4.9 30.0 1.0
CE3 A:TRP299 4.9 23.2 1.0

Chlorine binding site 6 out of 6 in 7axk

Go back to Chlorine Binding Sites List in 7axk
Chlorine binding site 6 out of 6 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Endosulfan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:65.6
occ:0.65
 CL6 A:S68503 0.0 65.6 0.7
CAS A:S68503 1.8 64.4 0.7
CAM A:S68503 2.6 56.3 0.7
CAO A:S68503 2.9 69.1 0.7
CAQ A:S68503 2.9 68.4 0.7
CL2 A:S68503 3.0 61.5 0.7
CAI A:S68503 3.4 60.7 0.7
CG A:MET323 3.5 31.5 1.0
CL4 A:S68503 3.5 80.3 0.7
OE1 A:GLN285 3.8 29.3 1.0
CAL A:S68503 3.8 50.7 0.7
SD A:MET323 3.9 47.6 1.0
CL3 A:S68503 3.9 73.6 0.7
CAR A:S68503 4.0 65.7 0.7
CD1 A:LEU209 4.1 51.1 1.0
CAN A:S68503 4.2 65.1 0.7
NE2 A:GLN285 4.2 45.4 1.0
NE2 A:HIS327 4.4 25.7 1.0
CD A:GLN285 4.4 34.3 1.0
CE A:MET323 4.4 45.0 1.0
CZ2 A:TRP299 4.4 24.5 1.0
CD2 A:HIS327 4.6 19.4 1.0
OAK A:S68503 4.6 67.1 0.7
CH2 A:TRP299 4.6 29.3 1.0
CB A:MET323 4.9 26.2 1.0
CE2 A:TRP299 5.0 23.5 1.0

Reference:

V.Delfosse, T.Huet, D.Harrus, M.Granell, M.Bourguet, C.Gardia-Parege, B.Chiavarina, M.Grimaldi, S.Le Mevel, P.Blanc, D.Huang, J.Gruszczyk, B.Demeneix, S.Cianferani, J.B.Fini, P.Balaguer, W.Bourguet. Mechanistic Insights Into the Synergistic Activation of the Rxr-Pxr Heterodimer By Endocrine Disruptor Mixtures. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 33361153
DOI: 10.1073/PNAS.2020551118
Page generated: Sat Jul 12 22:59:04 2025

Last articles

Mg in 4JJS
Mg in 4JJ2
Mg in 4JIW
Mg in 4JIV
Mg in 4JIB
Mg in 4JI4
Mg in 4JI5
Mg in 4JI1
Mg in 4JI0
Mg in 4JI2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy