2A8H
Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | ADAM 17 | polymer | 271 | 30710.3 | 2 | UniProt (P78536) Pfam (PF13688) | Homo sapiens (human) | A disintegrin and metalloproteinase domain 17, TNF-alpha converting enzyme, TNF-alpha convertase, Snake venom-like protease, CD156b antigen |
| 2 | C, E (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, F (A, B) | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE | non-polymer | 413.5 | 2 | Chemie (4NH) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 147 | Chemie (HOH) |
Sequence modifications
A, B: 215 - 477 (UniProt: P78536)
| PDB | External Database | Details |
|---|---|---|
| Ala 266 | Ser 266 | engineered mutation |
| Gln 452 | Asn 452 | engineered mutation |
| Gly 478 | - | expression tag |
| Ser 479 | - | expression tag |
| His 480 | - | expression tag |
| His 481 | - | expression tag |
| His 482 | - | expression tag |
| His 483 | - | expression tag |
| His 484 | - | expression tag |
| His 485 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 61420.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 957.8 | |
| All* | Total formula weight | 62378.5 |
