6DUP
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Nuclear receptor subfamily 1 group I member 2 | polymer | 344 | 39184.0 | 2 | UniProt (O75469) Pfam (PF00104) In PDB | Homo sapiens (Human) | Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR |
| 2 | A | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one | non-polymer | 388.3 | 1 | Chemie (HCJ) | |||
| 3 | water | water | 18.0 | 78 | Chemie (HOH) |
Sequence modifications
A, B: 130 - 426 (UniProt: O75469)
| PDB | External Database | Details |
|---|---|---|
| Met 119 | - | expression tag |
| 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 |
| Glu 427 | - | expression tag |
| Leu 428 | - | expression tag |
| Phe 429 | - | expression tag |
| Gly 430 | - | expression tag |
| Ile 431 | - | expression tag |
| Thr 432 | - | expression tag |
| Gly 433 | - | expression tag |
| Ser 434 | - | expression tag |
| Gly 435 | - | expression tag |
| Gly 436 | - | expression tag |
| Ser 437 | - | expression tag |
| Gly 438 | - | expression tag |
| Gly 439 | - | expression tag |
| Ser 440 | - | expression tag |
| Ser 441 | - | expression tag |
| His 442 | - | expression tag |
| Ser 443 | - | 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78368.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 388.3 | |
| All* | Total formula weight | 78756.4 |
