3A2J
Crystal structure of the human vitamin D receptor (H305F/H397F) ligand binding domain complexed with TEI-9647
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Vitamin D3 receptor | polymer | 263 | 29823.4 | 1 | UniProt (P11473) Pfam (PF00104) | Homo sapiens (human) | VDR, 1,25-dihydroxyvitamin D3 receptor, Nuclear receptor subfamily 1 group I member 1 |
| 2 | B (A) | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one | non-polymer | 426.6 | 1 | Chemie (TEJ) PubChem (45479714) PubChem (75021430) PubChem (9547692) PubChem (9547693) PubChem (9888727) PubChem (10274073) PubChem (91025155) PubChem (15481882) PubChem (100997206) PubChem (100997207) PubChem (15481883) PubChem (146156139) PubChem (156963156) PubChem (164887609) PubChem (166639120) PubChem (171154195) PubChem (172897942) PubChem (172913514) | |||
| 3 | C (A) | water | water | 18.0 | 24 | Chemie (HOH) |
Sequence modifications
A: 118 - 164 (UniProt: P11473)
A: 216 - 427 (UniProt: P11473)
| PDB | External Database | Details |
|---|---|---|
| Gly 114 | - | expression tag |
| Ser 115 | - | expression tag |
| His 116 | - | expression tag |
| Met 117 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Phe 305 | His 305 | engineered mutation |
| Phe 397 | His 397 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 29823.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 426.6 | |
| All* | Total formula weight | 30250.0 |
