5WKI
Crystal structure of PG90 TCR-CD1b-PG complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | T-cell surface glycoprotein CD1b | polymer | 300 | 33530.7 | 1 | UniProt (P29016) Pfam (PF16497) Pfam (PF07654) | Homo sapiens (Human) | |
| 2 | B (B) | Beta-2-microglobulin | polymer | 99 | 11748.2 | 1 | UniProt (P61769) Pfam (PF07654) | Homo sapiens (Human) | |
| 3 | C (D) | T-cell receptor alpha variable 26-1,TRA@ protein | polymer | 204 | 22839.4 | 1 | UniProt (A0A087WT03) UniProt (Q6P4G7) Pfam (PF07686) Pfam (PF09291) | Homo sapiens (Human) | |
| 4 | D (E) | PG90 TCR beta chain | polymer | 249 | 27791.8 | 1 | Homo sapiens (human) | ||
| 5 | E (C) | alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 716.7 | 1 | In PDB GlyTouCan (G63564LA) | |||
| 6 | F (A) | tetracosyl octadecanoate | non-polymer | 621.1 | 1 | Chemie (CUY) | |||
| 7 | G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 8 | H, I, J, K, L... (A, B, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 9 | T, X (D, E) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 10 | U (D) | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate | non-polymer | 749.0 | 1 | Chemie (D3D) | |||
| 11 | V, W (E) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 12 | Y (E) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 13 | AA, BA, CA, Z (B, D, E, A) | water | water | 18.0 | 187 | Chemie (HOH) |
Sequence modifications
A: 2 - 278 (UniProt: P29016)
D: 1 - 90 (UniProt: A0A087WT03)
D: 111 - 204 (UniProt: Q6P4G7)
| PDB | External Database | Details |
|---|---|---|
| Gly 279 | - | expression tag |
| Ser 280 | - | expression tag |
| Gly 281 | - | expression tag |
| Leu 282 | - | expression tag |
| Asn 283 | - | expression tag |
| Asp 284 | - | expression tag |
| Ile 285 | - | expression tag |
| Phe 286 | - | expression tag |
| Glu 287 | - | expression tag |
| Ala 288 | - | expression tag |
| Gln 289 | - | expression tag |
| Lys 290 | - | expression tag |
| Ile 291 | - | expression tag |
| Glu 292 | - | expression tag |
| Trp 293 | - | expression tag |
| His 294 | - | expression tag |
| Glu 295 | - | expression tag |
| His 296 | - | expression tag |
| His 297 | - | expression tag |
| His 298 | - | expression tag |
| His 299 | - | expression tag |
| His 300 | - | expression tag |
| His 301 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Pro 8 | Thr 25 | conflict |
| Arg 91 | - | linker |
| Val 92 | - | linker |
| Ala 93 | - | linker |
| Tyr 94 | - | linker |
| Arg 95 | - | linker |
| Gln 96 | - | linker |
| Lys 97 | - | linker |
| Val 98 | - | linker |
| Thr 99 | - | linker |
| Phe 100 | - | linker |
| Gly 101 | - | linker |
| Thr 102 | - | linker |
| Gly 103 | - | linker |
| Thr 104 | - | linker |
| Lys 105 | - | linker |
| Leu 106 | - | linker |
| Gln 107 | - | linker |
| Val 108 | - | linker |
| Ile 109 | - | linker |
| Pro 110 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Cys 158 | Thr 167 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 95910.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 716.7 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2535.7 | |
| All* | Total formula weight | 99162.4 |
