8EQZ
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6
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 | 355 | 40342.2 | 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 (A, B) | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide | non-polymer | 483.5 | 2 | Chemie (WQB) PubChem (166642336) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 68 | Chemie (HOH) |
Sequence modifications
A, B: 130 - 432 (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 |
| Ser 432 | - | expression tag |
| Gly 432 | - | expression tag |
| Gly 432 | - | expression tag |
| Ser 432 | - | expression tag |
| Gly 432 | - | expression tag |
| Gly 432 | - | expression tag |
| Ser 432 | - | expression tag |
| Ser 432 | - | expression tag |
| His 432 | - | expression tag |
| Ser 432 | - | expression tag |
| Ser 444 | - | expression tag |
| Leu 445 | - | expression tag |
| Thr 446 | - | expression tag |
| Glu 447 | - | expression tag |
| Arg 448 | - | expression tag |
| His 449 | - | expression tag |
| Lys 450 | - | expression tag |
| Ile 451 | - | expression tag |
| Leu 452 | - | expression tag |
| His 453 | - | expression tag |
| Arg 454 | - | expression tag |
| Leu 455 | - | expression tag |
| Leu 456 | - | expression tag |
| Gln 457 | - | expression tag |
| Glu 458 | - | expression tag |
| Gly 459 | - | expression tag |
| Ser 460 | - | expression tag |
| Pro 461 | - | expression tag |
| Ser 462 | - | expression tag |
| Asp 463 | - | expression tag |
| Ile 464 | - | expression tag |
| Thr 465 | - | expression tag |
| Thr 466 | - | expression tag |
| Leu 467 | - | expression tag |
| Ser 468 | - | expression tag |
| Val 469 | - | expression tag |
| Glu 470 | - | expression tag |
| Pro 471 | - | expression tag |
| Asp 472 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80684.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 966.9 | |
| All* | Total formula weight | 81651.4 |
