4X1G
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Nuclear receptor subfamily 1 group I member 2 | polymer | 316 | 36280.9 | 1 | UniProt (O75469) Pfam (PF00104) | Homo sapiens (Human) | Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR |
| 2 | B (A) | Ethinyl estradiol | non-polymer | 296.4 | 1 | Chemie (3WF) PubChem (3285) PubChem (5991) PubChem (24707) PubChem (191860) PubChem (1201547) PubChem (1426964) PubChem (1551019) PubChem (6093253) PubChem (6973660) PubChem (6985628) PubChem (6994197) PubChem (7048675) PubChem (7722693) PubChem (9853227) PubChem (11865431) PubChem (11865432) PubChem (15558445) PubChem (16757679) PubChem (16759144) PubChem (44320125) PubChem (44458347) PubChem (46781500) PubChem (51397082) PubChem (57495718) PubChem (145760) PubChem (51397083) PubChem (51411356) PubChem (3037691) PubChem (6337855) PubChem (125116812) PubChem (11914204) PubChem (71777287) PubChem (73265347) PubChem (73896869) PubChem (89769244) PubChem (92201414) PubChem (124302178) PubChem (124679730) PubChem (126963600) PubChem (131770026) PubChem (132775846) | |||
| 3 | C (A) | Trans-nonachlor | non-polymer | 444.2 | 1 | Chemie (3WG) PubChem (12313422) PubChem (23618134) PubChem (176514740) PubChem (19520) PubChem (53393631) PubChem (12313421) PubChem (12313426) PubChem (85364149) PubChem (91746584) PubChem (98467369) PubChem (101029435) PubChem (102059010) PubChem (154825231) PubChem (171042608) | |||
| 4 | D (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 5 | E (A) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 1 | Chemie (IPA) | |||
| 6 | F (A) | water | water | 18.0 | 122 | Chemie (HOH) |
Sequence modifications
A: 130 - 434 (UniProt: O75469)
| PDB | External Database | Details |
|---|---|---|
| Met 119 | - | initiating methionine |
| Lys 120 | - | expression tag |
| Lys 121 | - | expression tag |
| Gly 122 | - | expression tag |
| His 123 | - | expression tag |
| His 124 | - | expression tag |
| His 125 | - | expression tag |
| His 126 | - | expression tag |
| His 127 | - | expression tag |
| His 128 | - | expression tag |
| Gly 129 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36280.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 918.9 | |
| All* | Total formula weight | 37199.8 |
