2DDF
Crystal structure of TACE in complex with TAPI-2
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 | 257 | 29009.5 | 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, G (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | E, 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) | |||
| 5 | F, K, L, M (A, B) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 4 | Chemie (IPA) | |||
| 6 | I (B) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 7 | J (B) | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
| 8 | N, O (A, B) | water | water | 18.0 | 333 | Chemie (HOH) |
Sequence modifications
A, B: 218 - 474 (UniProt: P78536)
| PDB | External Database | Details |
|---|---|---|
| Ala 266 | Ser 266 | engineered mutation |
| Gly 353 | Val 353 | engineered mutation |
| Gln 452 | Asn 452 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 58019.0 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1503.5 | |
| All* | Total formula weight | 59522.5 |
