3EWJ
Crystal structure of catalytic domain of TACE with carboxylate 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 | 30668.3 | 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 |
| 2 | C, E (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide | non-polymer | 415.5 | 1 | BIRD (PRD_000919) Chemie (INN) | |||
| 4 | F (B) | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | non-polymer | 464.5 | 1 | Chemie (642) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 430 | Chemie (HOH) |
Sequence modifications
A, B: 215 - 477 (UniProt: P78536)
| PDB | External Database | Details |
|---|---|---|
| Ala 266 | Ser 266 | engineered mutation |
| Gly 353 | Val 353 | 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 | 61336.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1010.9 | |
| All* | Total formula weight | 62347.4 |
