3TKC
Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains
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 | 259 | 29391.9 | 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,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol | non-polymer | 440.6 | 1 | Chemie (FMV) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 365 | Chemie (HOH) |
Sequence modifications
A: 118 - 427 (UniProt: P11473)
| PDB | External Database | Details |
|---|---|---|
| - | 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 | 29391.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 632.7 | |
| All* | Total formula weight | 30024.6 |
