9QWJ
Crystal structure of S2c TCR in complex with CD1c
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (B, N) | Beta-2-microglobulin,T-cell surface glycoprotein CD1c | polymer | 442 | 49744.5 | 2 | UniProt (P61769) UniProt (P29017) Pfam (PF07654) Pfam (PF16497) | Homo sapiens (human) | |
| 2 | B, E (D, T) | TCR alpha | polymer | 199 | 21936.2 | 2 | Homo sapiens | ||
| 3 | C, F (E, U) | TCR beta | polymer | 246 | 28059.2 | 2 | Homo sapiens | ||
| 4 | G, H (C, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 5 | BA, I, Q, R, T... (T, B, D, E, N) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 6 | J, K, M, N, V... (B, N) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 7 | L, X (B, N) | beta-D-mannopyranose | non-polymer | 180.2 | 2 | Chemie (BMA) | |||
| 8 | O, P (B) | DODECANE | non-polymer | 170.3 | 2 | Chemie (D12) | |||
| 9 | CA, DA, S (T, D) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 10 | AA, Z (N) | DECANE | non-polymer | 142.3 | 2 | Chemie (D10) | |||
| 11 | EA, FA, GA, HA, IA... (B, D, E, N, T...) | water | water | 18.0 | 511 | Chemie (HOH) |
Sequence modifications
B, N: 2 - 99 (UniProt: P61769)
B, N: 116 - 389 (UniProt: P29017)
| PDB | External Database | Details |
|---|---|---|
| Met -18 | - | initiating methionine |
| Tyr -17 | - | expression tag |
| Arg -16 | - | expression tag |
| Met -15 | - | expression tag |
| Gln -14 | - | expression tag |
| Leu -13 | - | expression tag |
| Leu -12 | - | expression tag |
| Ser -11 | - | expression tag |
| Cys -10 | - | expression tag |
| Ile -9 | - | expression tag |
| Ala -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Ser -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Ala -4 | - | expression tag |
| Leu -3 | - | expression tag |
| Val -2 | - | expression tag |
| Thr -1 | - | expression tag |
| Asn 0 | - | expression tag |
| Ser 1 | - | expression tag |
| Ile 100 | - | linker |
| Gly 101 | - | linker |
| Gly 102 | - | linker |
| Gly 103 | - | linker |
| Gly 104 | - | linker |
| Ser 105 | - | linker |
| Gly 106 | - | linker |
| Gly 107 | - | linker |
| Gly 108 | - | linker |
| Gly 109 | - | linker |
| Ser 110 | - | linker |
| Gly 111 | - | linker |
| Gly 112 | - | linker |
| Gly 113 | - | linker |
| Gly 114 | - | linker |
| Ser 115 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ser 390 | - | expression tag |
| Leu 391 | - | expression tag |
| Ser 392 | - | expression tag |
| Thr 393 | - | expression tag |
| Pro 394 | - | expression tag |
| Pro 395 | - | expression tag |
| Thr 396 | - | expression tag |
| Pro 397 | - | expression tag |
| Ser 398 | - | expression tag |
| Thr 399 | - | expression tag |
| Pro 400 | - | expression tag |
| Pro 401 | - | expression tag |
| Thr 402 | - | expression tag |
| Gly 403 | - | expression tag |
| Leu 404 | - | expression tag |
| Asn 405 | - | expression tag |
| Asp 406 | - | expression tag |
| Ile 407 | - | expression tag |
| Phe 408 | - | expression tag |
| Glu 409 | - | expression tag |
| Ala 410 | - | expression tag |
| Gln 411 | - | expression tag |
| Lys 412 | - | expression tag |
| Ile 413 | - | expression tag |
| Glu 414 | - | expression tag |
| Trp 415 | - | expression tag |
| His 416 | - | expression tag |
| Glu 417 | - | expression tag |
| His 418 | - | expression tag |
| His 419 | - | expression tag |
| His 420 | - | expression tag |
| His 421 | - | expression tag |
| His 422 | - | expression tag |
| His 423 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 199479.8 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 848.8 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2867.5 | |
| All* | Total formula weight | 203196.1 |
