3CS4
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
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 | 29805.3 | 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,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol | non-polymer | 444.6 | 1 | Chemie (COV) | |||
| 3 | C (A) | water | water | 18.0 | 159 | Chemie (HOH) |
Sequence modifications
A: 118 - 427 (UniProt: P11473)
| PDB | External Database | Details |
|---|---|---|
| Gly 114 | - | expression tag |
| Ser 115 | - | expression tag |
| His 116 | - | expression tag |
| Met 117 | - | expression tag |
| - | Ser 165 | deletion |
| - | His 166 | deletion |
| - | Pro 167 | deletion |
| - | Ser 168 | deletion |
| - | Arg 169 | deletion |
| - | Pro 170 | deletion |
| - | Asn 171 | deletion |
| - | Ser 172 | deletion |
| - | Arg 173 | deletion |
| - | His 174 | deletion |
| - | Thr 175 | deletion |
| - | Pro 176 | deletion |
| - | Ser 177 | deletion |
| - | Phe 178 | deletion |
| - | Ser 179 | deletion |
| - | Gly 180 | deletion |
| - | Asp 181 | deletion |
| - | Ser 182 | deletion |
| - | Ser 183 | deletion |
| - | Ser 184 | deletion |
| - | Ser 185 | deletion |
| - | Cys 186 | deletion |
| - | Ser 187 | deletion |
| - | Asp 188 | deletion |
| - | His 189 | deletion |
| - | Cys 190 | deletion |
| - | Ile 191 | deletion |
| - | Thr 192 | deletion |
| - | Ser 193 | deletion |
| - | Ser 194 | deletion |
| - | Asp 195 | deletion |
| - | Met 196 | deletion |
| - | Met 197 | deletion |
| - | Asp 198 | deletion |
| - | Ser 199 | deletion |
| - | Ser 200 | deletion |
| - | Ser 201 | deletion |
| - | Phe 202 | deletion |
| - | Ser 203 | deletion |
| - | Asn 204 | deletion |
| - | Leu 205 | deletion |
| - | Asp 206 | deletion |
| - | Leu 207 | deletion |
| - | Ser 208 | deletion |
| - | Glu 209 | deletion |
| - | Glu 210 | deletion |
| - | Asp 211 | deletion |
| - | Ser 212 | deletion |
| - | Asp 213 | deletion |
| - | Asp 214 | deletion |
| - | Pro 215 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 29805.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 444.6 | |
| All* | Total formula weight | 30250.0 |
