2I47
Crystal structure of catalytic domain of TACE with 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 (PF13688) | Homo sapiens (human) | TACE, A disintegrin and metalloproteinase domain 17, TNF-alpha-converting enzyme, TNF-alpha convertase, Snake venom-like protease, CD156b antigen |
| 2 | E, G, I, K (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, H (A, B) | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide | non-polymer | 415.5 | 2 | BIRD (PRD_000919) Chemie (INN) | |||
| 4 | J, L (C, D) | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE | non-polymer | 525.6 | 2 | Chemie (KGY) | |||
| 5 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 716 | 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 | engineered mutation |
| Ser 493 | - | cloning artifact |
| 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 | 2143.9 | |
| All* | Total formula weight | 132497.4 |
