6K5O
Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists
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 | 271 | 30595.0 | 1 | UniProt (P13053) Pfam (PF00104) | Rattus norvegicus (Rat) | VDR,1,25-dihydroxyvitamin D3 receptor,Nuclear receptor subfamily 1 group I member 1 |
| 2 | B (C) | Mediator of RNA polymerase II transcription subunit 1 | polymer | 13 | 1570.9 | 1 | UniProt (Q15648) | Homo sapiens | Activator-recruited cofactor 205 kDa component,ARC205,Mediator complex subunit 1,Peroxisome proliferator-activated receptor-binding protein,PPAR-binding protein,Thyroid hormone receptor-associated protein complex 220 kDa component,Trap220,Thyroid receptor-interacting protein 2,TRIP-2,Vitamin D receptor-interacting protein complex component DRIP205,p53 regulatory protein RB18A |
| 3 | C (A) | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid | non-polymer | 454.7 | 1 | Chemie (D0O) | |||
| 4 | D, E (A, C) | water | water | 18.0 | 26 | Chemie (HOH) |
Sequence modifications
A: 116 - 419 (UniProt: P13053)
| PDB | External Database | Details |
|---|---|---|
| Gly 106 | - | expression tag |
| Ser 107 | - | expression tag |
| His 108 | - | expression tag |
| Met 109 | - | expression tag |
| Gly 110 | - | expression tag |
| Ser 111 | - | expression tag |
| Pro 112 | - | expression tag |
| Asn 113 | - | expression tag |
| Ser 114 | - | expression tag |
| Pro 115 | - | expression tag |
| - | Ser 165 | deletion |
| - | Tyr 166 | deletion |
| - | Ser 167 | deletion |
| - | Pro 168 | deletion |
| - | Arg 169 | deletion |
| - | Pro 170 | deletion |
| - | Thr 171 | deletion |
| - | Leu 172 | deletion |
| - | Ser 173 | deletion |
| - | Phe 174 | deletion |
| - | Ser 175 | deletion |
| - | Gly 176 | deletion |
| - | Asn 177 | deletion |
| - | Ser 178 | deletion |
| - | Ser 179 | deletion |
| - | Ser 180 | deletion |
| - | Ser 181 | deletion |
| - | Ser 182 | deletion |
| - | Ser 183 | deletion |
| - | Asp 184 | deletion |
| - | Leu 185 | deletion |
| - | Tyr 186 | deletion |
| - | Thr 187 | deletion |
| - | Thr 188 | deletion |
| - | Ser 189 | deletion |
| - | Leu 190 | deletion |
| - | Asp 191 | deletion |
| - | Met 192 | deletion |
| - | Met 193 | deletion |
| - | Glu 194 | deletion |
| - | Pro 195 | deletion |
| - | Ser 196 | deletion |
| - | Gly 197 | deletion |
| - | Phe 198 | deletion |
| - | Ser 199 | deletion |
| - | Asn 200 | deletion |
| - | Leu 201 | deletion |
| - | Asp 202 | deletion |
| - | Leu 203 | deletion |
| - | Asn 204 | deletion |
| - | Gly 205 | deletion |
| - | Glu 206 | deletion |
| - | Asp 207 | deletion |
| - | Ser 208 | deletion |
| - | Asp 209 | deletion |
| - | Asp 210 | deletion |
| - | Pro 211 | deletion |
| Asn 420 | - | expression tag |
| Glu 421 | - | expression tag |
| Ile 422 | - | expression tag |
| Ser 423 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 32165.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 454.7 | |
| All* | Total formula weight | 32620.6 |
