3RUG
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Antigen-presenting glycoprotein CD1d1 | polymer | 302 | 34662.0 | 2 | UniProt (P11609) Pfam (PF16497) Pfam (PF07654) | Mus musculus (Mouse) | |
| 2 | B, D (B, D) | Beta-2-microglobulin | polymer | 99 | 11660.4 | 2 | UniProt (P01887) Pfam (PF07654) | Mus musculus (Mouse) | |
| 3 | E, G (E, G) | Valpha10(mouse variable domain, human constant domain) | polymer | 204 | 22243.3 | 2 | Mus musculus (mouse) | ||
| 4 | F, H (F, H) | Vbeta8.1(mouse variable domain, human constant domain) | polymer | 241 | 27158.1 | 2 | Mus musculus (mouse) | ||
| 5 | I, J (I, J) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 6 | K, N (A, C) | (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide | non-polymer | 770.1 | 2 | Chemie (DB6) | |||
| 7 | L, M, O, P (A, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 8 | Q, R, S, T, U... (A, B, C, D, E...) | water | water | 18.0 | 355 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 279 (UniProt: P11609)
| PDB | External Database | Details |
|---|---|---|
| His 201 | Asp 219 | conflict |
| Gly 280 | - | expression tag |
| Ser 281 | - | expression tag |
| Leu 282 | - | expression tag |
| His 283 | - | expression tag |
| His 284 | - | expression tag |
| Ile 285 | - | expression tag |
| Leu 286 | - | expression tag |
| Asp 287 | - | expression tag |
| Ala 288 | - | expression tag |
| Gln 289 | - | expression tag |
| Lys 290 | - | expression tag |
| Met 291 | - | expression tag |
| Val 292 | - | expression tag |
| Trp 293 | - | expression tag |
| Asn 294 | - | expression tag |
| His 295 | - | expression tag |
| Arg 296 | - | expression tag |
| His 297 | - | expression tag |
| His 298 | - | expression tag |
| His 299 | - | expression tag |
| His 300 | - | expression tag |
| His 301 | - | expression tag |
| His 302 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 191447.5 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 848.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2425.1 | |
| All* | Total formula weight | 194721.4 |
