5XPL
Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Vitamin D3 receptor | polymer | 271 | 30595.0 | 1 | UniProt (P13053) Pfam (PF00104) In PDB | Rattus norvegicus (Rat) | VDR,1,25-dihydroxyvitamin D3 receptor,Nuclear receptor subfamily 1 group I member 1 |
| 2 | C | Nuclear receptor coactivator 2 | polymer | 13 | 1593.8 | 1 | UniProt (Q15596) In PDB | Homo sapiens (Human) | NCoA-2,Class E basic helix-loop-helix protein 75,bHLHe75,Transcriptional intermediary factor 2,hTIF2 |
| 3 | A | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one | non-polymer | 534.8 | 1 | Chemie (8C9) | |||
| 4 | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
A: 116 - 423 (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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 32188.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 534.8 | |
| All* | Total formula weight | 32723.7 |
