Chlorine in PDB 7axi: Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane

The structure of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane, PDB code: 7axi 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)	45.95 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.904, 91.904, 85.685, 90, 90, 90
R / Rfree (%)	17.3 / 20.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane (pdb code 7axi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane, PDB code: 7axi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


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 Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:64.8 occ:0.41 CL1 A:S6E503 0.0 64.8 0.4 CL1 A:S6H504 0.1 64.8 0.6 C05 A:S6H504 1.8 61.0 0.6 C03 A:S6E503 1.9 61.1 0.4 C04 A:S6H504 2.6 61.9 0.6 C02 A:S6E503 2.6 61.4 0.4 C01 A:S6H504 2.7 60.8 0.6 C05 A:S6E503 2.8 61.9 0.4 C03 A:S6H504 2.9 62.2 0.6 C02 A:S6H504 3.0 64.4 0.6 CL2 A:S6E503 3.0 59.6 0.4 C01 A:S6E503 3.0 62.2 0.4 C07 A:S6E503 3.1 64.3 0.4 CL2 A:S6H504 3.1 53.3 0.6 CB A:TYR306 3.7 23.6 1.0 CE A:MET243 3.8 43.2 0.5 CG A:TYR306 3.9 29.7 1.0 CE3 A:TRP299 3.9 28.1 1.0 CZ3 A:TRP299 4.2 31.6 1.0 CD2 A:TYR306 4.3 27.4 1.0 CG1 A:VAL211 4.4 31.5 1.0 CD1 A:TYR306 4.4 31.8 1.0 CG2 A:VAL211 4.4 31.8 1.0 C14 A:S6E503 4.5 63.7 0.4 C08 A:S6H504 4.5 63.8 0.6 C08 A:S6E503 4.6 67.3 0.4 CD2 A:TRP299 4.6 25.5 1.0 C11 A:S6H504 4.6 67.4 0.6 CD2 A:LEU209 4.6 69.7 1.0 SD A:MET243 4.6 36.6 0.5 C12 A:S6E503 4.8 64.3 0.4 CB A:VAL211 4.9 31.9 1.0 CL7 A:S6E503 4.9 62.8 0.4 CH2 A:TRP299 4.9 30.6 1.0 CL4 A:S6H504 4.9 62.9 0.6 C09 A:S6H504 4.9 64.3 0.6 CD1 A:LEU209 5.0 48.0 1.0 C16 A:S6E503 5.0 66.2 0.4

Chlorine binding site 2 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


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 Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:59.6 occ:0.41 CL2 A:S6E503 0.0 59.6 0.4 C01 A:S6H504 1.2 60.8 0.6 C05 A:S6E503 1.8 61.9 0.4 C05 A:S6H504 2.2 61.0 0.6 C02 A:S6H504 2.4 64.4 0.6 C07 A:S6E503 2.5 64.3 0.4 C03 A:S6E503 2.7 61.1 0.4 CL1 A:S6E503 3.0 64.8 0.4 CL1 A:S6H504 3.1 64.8 0.6 C04 A:S6H504 3.4 61.9 0.6 C11 A:S6H504 3.4 67.4 0.6 C08 A:S6E503 3.4 67.3 0.4 CH2 A:TRP299 3.5 30.6 1.0 CZ2 A:TRP299 3.5 25.4 1.0 C03 A:S6H504 3.5 62.2 0.6 CZ3 A:TRP299 3.7 31.6 1.0 C01 A:S6E503 3.7 62.2 0.4 CE2 A:TRP299 3.7 27.1 1.0 C02 A:S6E503 3.8 61.4 0.4 C10 A:S6H504 3.8 62.8 0.6 CL3 A:S6E503 3.9 74.5 0.4 CE3 A:TRP299 3.9 28.1 1.0 C10 A:S6E503 3.9 62.8 0.4 CD2 A:TRP299 3.9 25.5 1.0 CL5 A:S6H504 4.0 75.1 0.6 SD A:MET323 4.1 54.4 0.5 CL4 A:S6E503 4.2 75.7 0.4 CL6 A:S6H504 4.2 75.9 0.6 C12 A:S6E503 4.3 64.3 0.4 CD1 A:LEU209 4.4 48.0 1.0 C09 A:S6H504 4.4 64.3 0.6 NE1 A:TRP299 4.5 24.0 1.0 CD2 A:LEU209 4.5 69.7 1.0 C16 A:S6E503 4.6 66.2 0.4 C12 A:S6H504 4.6 66.3 0.6 C14 A:S6E503 4.6 63.7 0.4 C08 A:S6H504 4.6 63.8 0.6 CE A:MET323 4.7 50.2 0.5 CG A:TRP299 4.8 27.6 1.0 CL2 A:S6H504 5.0 53.3 0.6

Chlorine binding site 3 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


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 Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:74.5 occ:0.41 CL3 A:S6E503 0.0 74.5 0.4 CL5 A:S6H504 0.2 75.1 0.6 C11 A:S6H504 1.7 67.4 0.6 C08 A:S6E503 1.8 67.3 0.4 C10 A:S6E503 2.7 62.8 0.4 C10 A:S6H504 2.7 62.8 0.6 C16 A:S6E503 2.7 66.2 0.4 C12 A:S6H504 2.7 66.3 0.6 C02 A:S6H504 2.8 64.4 0.6 C07 A:S6E503 2.9 64.3 0.4 CL8 A:S6E503 3.3 67.7 0.4 CL3 A:S6H504 3.3 67.8 0.6 CL7 A:S6E503 3.4 62.8 0.4 CL4 A:S6H504 3.4 62.9 0.6 CE A:MET323 3.4 50.2 0.5 CL4 A:S6E503 3.5 75.7 0.4 CL6 A:S6H504 3.5 75.9 0.6 C01 A:S6H504 3.6 60.8 0.6 NE2 A:GLN285 3.7 57.9 1.0 C05 A:S6E503 3.7 61.9 0.4 SD A:MET323 3.7 54.4 0.5 C12 A:S6E503 3.8 64.3 0.4 C09 A:S6H504 3.9 64.3 0.6 C08 A:S6H504 3.9 63.8 0.6 C14 A:S6E503 3.9 63.7 0.4 CL2 A:S6E503 3.9 59.6 0.4 C18 A:EST501 4.0 56.5 1.0 C03 A:S6H504 4.0 62.2 0.6 C01 A:S6E503 4.1 62.2 0.4 SD A:MET323 4.2 54.4 0.5 CD2 A:LEU209 4.3 69.7 1.0 CD2 A:HIS407 4.5 58.0 1.0 NE2 A:HIS407 4.6 59.4 1.0 CD A:GLN285 4.6 46.7 1.0 OE1 A:GLN285 4.7 44.3 1.0 CG A:MET323 4.7 44.8 0.5 CG A:MET323 4.8 48.5 0.5 CE1 A:PHE281 4.8 44.8 1.0 C05 A:S6H504 4.9 61.0 0.6 C04 A:S6H504 4.9 61.9 0.6 CZ A:PHE281 5.0 45.0 1.0

Chlorine binding site 4 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


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 Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:75.7 occ:0.41 CL4 A:S6E503 0.0 75.7 0.4 CL6 A:S6H504 0.2 75.9 0.6 C10 A:S6H504 1.6 62.8 0.6 C10 A:S6E503 1.8 62.8 0.4 NE2 A:GLN285 2.6 57.9 1.0 C09 A:S6H504 2.6 64.3 0.6 C12 A:S6E503 2.7 64.3 0.4 C11 A:S6H504 2.9 67.4 0.6 C08 A:S6E503 2.9 67.3 0.4 CD A:GLN285 3.1 46.7 1.0 OE1 A:GLN285 3.1 44.3 1.0 CL7 A:S6H504 3.1 69.8 0.6 CL5 A:S6E503 3.1 69.5 0.4 C05 A:S6E503 3.3 61.9 0.4 CL3 A:S6E503 3.5 74.5 0.4 CL5 A:S6H504 3.6 75.1 0.6 C01 A:S6H504 3.6 60.8 0.6 C07 A:S6E503 3.6 64.3 0.4 C02 A:S6H504 3.8 64.4 0.6 C16 A:S6E503 3.8 66.2 0.4 C12 A:S6H504 3.8 66.3 0.6 C08 A:S6H504 3.9 63.8 0.6 C14 A:S6E503 3.9 63.7 0.4 CL8 A:S6E503 4.1 67.7 0.4 CL3 A:S6H504 4.1 67.8 0.6 CL2 A:S6E503 4.2 59.6 0.4 SG A:CYS284 4.2 22.1 0.6 C04 A:S6H504 4.3 61.9 0.6 CG A:GLN285 4.3 29.7 1.0 C03 A:S6H504 4.3 62.2 0.6 CG A:PHE288 4.3 30.5 1.0 C01 A:S6E503 4.4 62.2 0.4 CD2 A:PHE288 4.4 48.7 1.0 CB A:PHE288 4.5 23.3 1.0 C05 A:S6H504 4.5 61.0 0.6 CA A:GLN285 4.5 24.1 1.0 C03 A:S6E503 4.6 61.1 0.4 C02 A:S6E503 4.7 61.4 0.4 N A:GLN285 4.8 24.3 1.0 CD1 A:PHE288 4.8 46.4 1.0 O A:CYS284 4.9 24.7 1.0 C A:CYS284 4.9 21.5 1.0 CB A:GLN285 4.9 22.0 1.0 SD A:MET323 5.0 54.4 0.5 CE2 A:PHE288 5.0 49.4 1.0

Chlorine binding site 5 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


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 Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:69.5 occ:0.41 CL5 A:S6E503 0.0 69.5 0.4 CL7 A:S6H504 0.1 69.8 0.6 C09 A:S6H504 1.7 64.3 0.6 C12 A:S6E503 1.7 64.3 0.4 C10 A:S6E503 2.7 62.8 0.4 C10 A:S6H504 2.7 62.8 0.6 C08 A:S6H504 2.9 63.8 0.6 C14 A:S6E503 2.9 63.7 0.4 CL4 A:S6E503 3.1 75.7 0.4 CE2 A:PHE288 3.2 49.4 1.0 CL6 A:S6H504 3.2 75.9 0.6 CL8 A:S6H504 3.3 51.8 0.6 CL6 A:S6E503 3.3 51.8 0.4 C04 A:S6H504 3.4 61.9 0.6 SG A:CYS284 3.5 22.1 0.6 CZ A:PHE288 3.5 37.5 1.0 CD2 A:PHE288 3.6 48.7 1.0 C02 A:S6E503 3.6 61.4 0.4 C01 A:S6E503 3.7 62.2 0.4 C03 A:S6H504 3.7 62.2 0.6 C16 A:S6E503 3.8 66.2 0.4 C12 A:S6H504 3.8 66.3 0.6 C08 A:S6E503 3.9 67.3 0.4 C05 A:S6E503 3.9 61.9 0.4 C11 A:S6H504 3.9 67.4 0.6 C07 A:S6E503 4.1 64.3 0.4 CE1 A:PHE288 4.1 46.2 1.0 CL8 A:S6E503 4.1 67.7 0.4 OG A:SER247 4.1 33.1 0.3 CL3 A:S6H504 4.1 67.8 0.6 CG A:PHE288 4.2 30.5 1.0 C03 A:S6E503 4.2 61.1 0.4 CG A:MET246 4.2 27.6 1.0 CL2 A:S6H504 4.3 53.3 0.6 C02 A:S6H504 4.3 64.4 0.6 CD1 A:PHE288 4.4 46.4 1.0 CG A:MET250 4.4 27.8 1.0 C05 A:S6H504 4.5 61.0 0.6 C01 A:S6H504 4.5 60.8 0.6 CA A:SER247 4.6 26.4 0.7 CA A:SER247 4.7 26.4 0.3 CB A:SER247 4.8 25.2 0.7 N A:SER247 4.9 25.2 1.0 CB A:SER247 4.9 25.5 0.3

Chlorine binding site 6 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


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 Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:51.8 occ:0.41 CL6 A:S6E503 0.0 51.8 0.4 CL8 A:S6H504 0.1 51.8 0.6 C14 A:S6E503 2.0 63.7 0.4 C08 A:S6H504 2.0 63.8 0.6 OG A:SER247 2.8 33.1 0.3 C12 A:S6E503 2.9 64.3 0.4 C09 A:S6H504 2.9 64.3 0.6 C01 A:S6E503 3.0 62.2 0.4 O A:MET243 3.0 21.3 1.0 C16 A:S6E503 3.0 66.2 0.4 C12 A:S6H504 3.0 66.3 0.6 C03 A:S6H504 3.1 62.2 0.6 CL5 A:S6E503 3.3 69.5 0.4 CL8 A:S6E503 3.5 67.7 0.4 CL7 A:S6H504 3.5 69.8 0.6 CL3 A:S6H504 3.5 67.8 0.6 C02 A:S6E503 3.5 61.4 0.4 N A:SER247 3.7 25.2 1.0 CL4 A:S6H504 3.7 62.9 0.6 C A:MET243 3.7 22.7 1.0 CL7 A:S6E503 3.7 62.8 0.4 CA A:MET243 3.7 25.7 0.5 CA A:MET243 3.7 25.7 0.5 C04 A:S6H504 3.7 61.9 0.6 CB A:MET243 3.8 27.5 0.5 CB A:MET243 3.8 27.4 0.5 CL2 A:S6H504 3.8 53.3 0.6 CB A:SER247 3.9 25.2 0.7 SD A:MET243 3.9 36.6 0.5 CB A:MET246 3.9 20.6 1.0 CG A:MET246 3.9 27.6 1.0 CG A:MET243 3.9 34.0 0.5 CB A:SER247 3.9 25.5 0.3 C10 A:S6E503 4.0 62.8 0.4 C10 A:S6H504 4.1 62.8 0.6 C08 A:S6E503 4.1 67.3 0.4 CA A:SER247 4.1 26.4 0.7 CA A:SER247 4.1 26.4 0.3 C07 A:S6E503 4.2 64.3 0.4 C11 A:S6H504 4.2 67.4 0.6 C A:MET246 4.4 21.0 1.0 CG A:MET243 4.4 31.8 0.5 C02 A:S6H504 4.4 64.4 0.6 CA A:MET246 4.6 22.1 1.0 OG A:SER247 4.7 26.4 0.7 C03 A:S6E503 4.7 61.1 0.4 C05 A:S6E503 4.8 61.9 0.4 N A:ALA244 5.0 23.1 1.0

Chlorine binding site 7 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:62.8 occ:0.41 CL7 A:S6E503 0.0 62.8 0.4 CL4 A:S6H504 0.0 62.9 0.6 C16 A:S6E503 1.8 66.2 0.4 C12 A:S6H504 1.8 66.3 0.6 C08 A:S6E503 2.6 67.3 0.4 C11 A:S6H504 2.6 67.4 0.6 C14 A:S6E503 2.6 63.7 0.4 C08 A:S6H504 2.7 63.8 0.6 C01 A:S6E503 2.7 62.2 0.4 C03 A:S6H504 2.9 62.2 0.6 C02 A:S6H504 2.9 64.4 0.6 C07 A:S6E503 2.9 64.3 0.4 CL8 A:S6E503 2.9 67.7 0.4 CL3 A:S6H504 2.9 67.8 0.6 CE A:MET243 3.3 41.1 0.5 CL3 A:S6E503 3.4 74.5 0.4 CL5 A:S6H504 3.5 75.1 0.6 SD A:MET243 3.5 39.2 0.5 CL8 A:S6H504 3.7 51.8 0.6 CD2 A:LEU209 3.7 69.7 1.0 CL6 A:S6E503 3.7 51.8 0.4 C10 A:S6E503 3.8 62.8 0.4 CG A:MET243 3.8 34.0 0.5 C12 A:S6E503 3.8 64.3 0.4 C10 A:S6H504 3.9 62.8 0.6 C09 A:S6H504 3.9 64.3 0.6 C8 A:EST501 4.0 46.0 1.0 C6 A:EST501 4.1 46.9 1.0 CG A:MET243 4.1 31.8 0.5 SD A:MET243 4.2 36.6 0.5 C02 A:S6E503 4.2 61.4 0.4 C05 A:S6E503 4.2 61.9 0.4 CB A:MET243 4.2 27.4 0.5 CB A:MET243 4.2 27.5 0.5 CE A:MET243 4.2 43.2 0.5 C04 A:S6H504 4.3 61.9 0.6 C18 A:EST501 4.3 56.5 1.0 C01 A:S6H504 4.3 60.8 0.6 C7 A:EST501 4.3 49.0 1.0 C15 A:EST501 4.6 51.3 1.0 C5 A:EST501 4.6 45.1 1.0 C14 A:EST501 4.7 50.0 1.0 C03 A:S6E503 4.7 61.1 0.4 C05 A:S6H504 4.8 61.0 0.6 CL1 A:S6H504 4.9 64.8 0.6 CL1 A:S6E503 4.9 64.8 0.4

Chlorine binding site 8 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:67.7 occ:0.41 CL8 A:S6E503 0.0 67.7 0.4 CL3 A:S6H504 0.0 67.8 0.6 C12 A:S6H504 1.8 66.3 0.6 C16 A:S6E503 1.8 66.2 0.4 C08 A:S6E503 2.7 67.3 0.4 C08 A:S6H504 2.7 63.8 0.6 C11 A:S6H504 2.7 67.4 0.6 C14 A:S6E503 2.7 63.7 0.4 C10 A:S6E503 2.7 62.8 0.4 C10 A:S6H504 2.9 62.8 0.6 CL4 A:S6H504 2.9 62.9 0.6 CL7 A:S6E503 2.9 62.8 0.4 C09 A:S6H504 3.0 64.3 0.6 C12 A:S6E503 3.1 64.3 0.4 CL3 A:S6E503 3.3 74.5 0.4 OG A:SER247 3.3 33.1 0.3 CL5 A:S6H504 3.3 75.1 0.6 CL8 A:S6H504 3.4 51.8 0.6 CL6 A:S6E503 3.5 51.8 0.4 C5 A:EST501 3.6 45.1 1.0 C4 A:EST501 3.7 47.1 1.0 C01 A:S6E503 3.9 62.2 0.4 C07 A:S6E503 3.9 64.3 0.4 C10 A:EST501 3.9 52.1 1.0 C03 A:S6H504 4.0 62.2 0.6 C02 A:S6H504 4.0 64.4 0.6 C3 A:EST501 4.0 51.2 1.0 C6 A:EST501 4.1 46.9 1.0 CL4 A:S6E503 4.1 75.7 0.4 CL5 A:S6E503 4.1 69.5 0.4 CL7 A:S6H504 4.2 69.8 0.6 CL6 A:S6H504 4.3 75.9 0.6 C1 A:EST501 4.3 51.7 1.0 C2 A:EST501 4.3 47.0 1.0 C8 A:EST501 4.4 46.0 1.0 CB A:SER247 4.5 25.2 0.7 CB A:SER247 4.6 25.5 0.3 CE1 A:PHE281 4.6 44.8 1.0 C9 A:EST501 4.6 50.8 1.0 O3 A:EST501 4.7 48.5 1.0 NE2 A:GLN285 4.8 57.9 1.0 C05 A:S6E503 4.9 61.9 0.4 C7 A:EST501 4.9 49.0 1.0 C11 A:EST501 5.0 53.8 1.0

Chlorine binding site 9 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:64.8 occ:0.59 CL1 A:S6H504 0.0 64.8 0.6 CL1 A:S6E503 0.1 64.8 0.4 C05 A:S6H504 1.8 61.0 0.6 C03 A:S6E503 1.9 61.1 0.4 C02 A:S6E503 2.7 61.4 0.4 C04 A:S6H504 2.7 61.9 0.6 C01 A:S6H504 2.7 60.8 0.6 C05 A:S6E503 2.9 61.9 0.4 C03 A:S6H504 2.9 62.2 0.6 C02 A:S6H504 3.0 64.4 0.6 C01 A:S6E503 3.1 62.2 0.4 CL2 A:S6E503 3.1 59.6 0.4 C07 A:S6E503 3.1 64.3 0.4 CL2 A:S6H504 3.1 53.3 0.6 CE A:MET243 3.7 43.2 0.5 CB A:TYR306 3.7 23.6 1.0 CG A:TYR306 3.9 29.7 1.0 CE3 A:TRP299 4.0 28.1 1.0 CZ3 A:TRP299 4.2 31.6 1.0 CD2 A:TYR306 4.3 27.4 1.0 CG1 A:VAL211 4.3 31.5 1.0 CG2 A:VAL211 4.3 31.8 1.0 CD1 A:TYR306 4.4 31.8 1.0 C14 A:S6E503 4.5 63.7 0.4 C08 A:S6H504 4.5 63.8 0.6 CD2 A:LEU209 4.6 69.7 1.0 C08 A:S6E503 4.6 67.3 0.4 CD2 A:TRP299 4.6 25.5 1.0 C11 A:S6H504 4.6 67.4 0.6 SD A:MET243 4.6 36.6 0.5 CB A:VAL211 4.8 31.9 1.0 C12 A:S6E503 4.8 64.3 0.4 CL7 A:S6E503 4.9 62.8 0.4 CL4 A:S6H504 4.9 62.9 0.6 CD1 A:LEU209 4.9 48.0 1.0 CH2 A:TRP299 4.9 30.6 1.0 C09 A:S6H504 5.0 64.3 0.6 C16 A:S6E503 5.0 66.2 0.4

Chlorine binding site 10 out of 16 in the Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Hpxr-Lbd in Complex with Estradiol and Cis- Chlordane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:53.3 occ:0.59 CL2 A:S6H504 0.0 53.3 0.6 C02 A:S6E503 1.4 61.4 0.4 C04 A:S6H504 1.8 61.9 0.6 C03 A:S6E503 2.3 61.1 0.4 C03 A:S6H504 2.6 62.2 0.6 C01 A:S6E503 2.6 62.2 0.4 C05 A:S6H504 2.8 61.0 0.6 CL1 A:S6E503 3.1 64.8 0.4 CL1 A:S6H504 3.1 64.8 0.6 C14 A:S6E503 3.5 63.7 0.4 C08 A:S6H504 3.5 63.8 0.6 C05 A:S6E503 3.6 61.9 0.4 CE1 A:TYR306 3.6 29.6 1.0 CZ A:TYR306 3.6 36.3 1.0 SD A:MET243 3.7 36.6 0.5 CD1 A:TYR306 3.7 31.8 1.0 CL8 A:S6H504 3.7 51.8 0.6 C07 A:S6E503 3.8 64.3 0.4 C12 A:S6E503 3.8 64.3 0.4 CL6 A:S6E503 3.8 51.8 0.4 CE2 A:TYR306 3.9 31.4 1.0 C09 A:S6H504 3.9 64.3 0.6 CG A:MET246 3.9 27.6 1.0 C02 A:S6H504 3.9 64.4 0.6 CG A:TYR306 3.9 29.7 1.0 C01 A:S6H504 4.0 60.8 0.6 CD2 A:TYR306 4.0 27.4 1.0 CE1 A:PHE288 4.0 46.2 1.0 CE A:MET243 4.1 43.2 0.5 CZ A:PHE288 4.1 37.5 1.0 OH A:TYR306 4.2 32.5 1.0 CL5 A:S6E503 4.3 69.5 0.4 CL7 A:S6H504 4.3 69.8 0.6 CB A:MET246 4.6 20.6 1.0 C16 A:S6E503 4.7 66.2 0.4 C12 A:S6H504 4.7 66.3 0.6 CB A:TYR306 4.8 23.6 1.0 C08 A:S6E503 4.9 67.3 0.4 C10 A:S6E503 4.9 62.8 0.4 CG A:MET243 4.9 34.0 0.5 C10 A:S6H504 4.9 62.8 0.6 CE A:MET246 4.9 26.1 1.0 C11 A:S6H504 4.9 67.4 0.6 CD1 A:PHE288 5.0 46.4 1.0 CL2 A:S6E503 5.0 59.6 0.4

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