3G42
Crystal Structure of TACE with Tryptophan Sulfonamide Derivative 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, C, D (A, B, C, D) | ADAM 17 | polymer | 288 | 32588.4 | 4 | UniProt (P78536) Pfam (PF13574) | Homo sapiens (human) | A disintegrin and metalloproteinase domain 17, TNF-alpha-converting enzyme, TNF-alpha convertase, Snake venom-like protease |
| 2 | E, G, I, K (A, B, C, D) | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan | non-polymer | 426.5 | 4 | Chemie (792) | |||
| 3 | F, H, J, L (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 439 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 212 - 492 (UniProt: P78536)
| PDB | External Database | Details |
|---|---|---|
| Ala 266 | Ser 266 | engineered mutation |
| Gln 452 | Asn 452 | acetylation |
| Ser 493 | - | expression tag |
| His 494 | - | expression tag |
| His 495 | - | expression tag |
| His 496 | - | expression tag |
| His 497 | - | expression tag |
| His 498 | - | expression tag |
| His 499 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 130353.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1967.6 | |
| All* | Total formula weight | 132321.1 |
