3SDA
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-beta-galactosylceramide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Antigen-presenting glycoprotein CD1d1 | polymer | 302 | 34662.0 | 1 | UniProt (P11609) Pfam (PF16497) Pfam (PF07654) | Mus musculus (mouse) | |
| 2 | B (B) | Beta-2-microglobulin | polymer | 99 | 11660.4 | 1 | UniProt (P01887) Pfam (PF07654) | Mus musculus (mouse) | |
| 3 | C (C) | NKT TCR Valpha14 chain | polymer | 207 | 22779.2 | 1 | Pfam (PF09291) UniProt (by SIFTS) (P01848) | Mus musculus Homo sapiens (mouse human) | |
| 4 | D (D) | NKT TCR autoreactive-Vbeta6 chain | polymer | 245 | 27635.9 | 1 | Mus musculus Homo sapiens (mouse human) | ||
| 5 | E (E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 6 | F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 7 | H (A) | N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide | non-polymer | 812.3 | 1 | Chemie (GCY) PubChem (44204804) PubChem (44260152) PubChem (44204805) PubChem (53477677) PubChem (472745) PubChem (86290162) PubChem (176801639) PubChem (177532196) PubChem (74950937) PubChem (86289241) PubChem (101613910) PubChem (101417849) PubChem (5319015) PubChem (6321361) PubChem (6452860) PubChem (6475228) PubChem (101281325) PubChem (101629418) PubChem (12304803) PubChem (163032025) PubChem (176048518) PubChem (134758759) PubChem (163032022) PubChem (163032023) PubChem (163032024) | |||
| 8 | I (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 9 | J, K, L, M (A, B, C, D) | water | water | 18.0 | 62 | Chemie (HOH) |
Sequence modifications
A: 1 - 279 (UniProt: P11609)
B: 1 - 99 (UniProt: P01887)
| PDB | External Database | Details |
|---|---|---|
| His 201 | Asp 219 | SEE REMARK 999 |
| 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 |
| PDB | External Database | Details |
|---|---|---|
| Ala 85 | Asp 105 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 96737.5 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1346.8 | |
| All* | Total formula weight | 98508.6 |
