9BEQ
Crystal structure of pregnane X receptor ligand binding domain complexed with AP1867
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 | 36208.7 | 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) | {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | non-polymer | 693.8 | 1 | Chemie (AP1) PubChem (44269869) PubChem (46936201) PubChem (44269845) PubChem (59063521) PubChem (54461794) PubChem (5739) PubChem (444590) PubChem (10078399) PubChem (93005760) PubChem (118152554) PubChem (12129017) | |||
| 3 | C (A) | water | water | 18.0 | 30 | Chemie (HOH) |
Sequence modifications
A: 130 - 434 (UniProt: O75469)
| PDB | External Database | Details |
|---|---|---|
| Met 119 | - | initiating methionine |
| Gly 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 | 36208.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 693.8 | |
| All* | Total formula weight | 36902.5 |
