6TFI
PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17
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,Nuclear receptor coactivator 1 | polymer | 344 | 39184.0 | 2 | UniProt (O75469) UniProt (Q15788) Pfam (PF00104) In PDB | Homo sapiens (Human) | Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR,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 |
2 | A, B | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
3 | A, B | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
4 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
5 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
6 | B | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone | non-polymer | 429.9 | 1 | Chemie (N6H) | |||
7 | water | water | 18.0 | 360 | Chemie (HOH) |
Sequence modifications
A, B: 129 - 434 (UniProt: O75469)
A, B: 443 - 462 (UniProt: Q15788)
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 | Lys 129 | engineered mutation |
Gly 435 | - | linker |
Gly 436 | - | linker |
Ser 437 | - | linker |
Gly 438 | - | linker |
Gly 439 | - | linker |
Ser 440 | - | linker |
Ser 441 | - | linker |
His 442 | - | linker |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 78368.1 | |
Non-Polymers* | Number of molecules | 11 |
Total formula weight | 1378.0 | |
All* | Total formula weight | 79746.0 |