8F5Y
Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Nuclear receptor subfamily 1 group I member 2 | polymer | 316 | 36208.7 | 2 | UniProt (O75469) Pfam (PF00104) | Homo sapiens (human) | Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR |
| 2 | C, D (C, D) | Nuclear receptor coactivator 1 | polymer | 25 | 2806.2 | 2 | UniProt (Q15788) Pfam (PF08832) | Homo sapiens | NCoA-1,Class E basic helix-loop-helix protein 74,bHLHe74,Protein Hin-2,RIP160,Renal carcinoma antigen NY-REN-52,Steroid receptor coactivator 1,SRC-1 |
| 3 | E, F (A, B) | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | non-polymer | 458.0 | 2 | Chemie (JQ1) | |||
| 4 | G, H, I, J (A, B, C, D) | water | water | 18.0 | 96 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 4 |
| Total formula weight | 78029.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 916.0 | |
| All* | Total formula weight | 78945.8 |
