3E8R
Crystal structure of catalytic domain of TACE with 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 | ADAM 17 | polymer | 271 | 30668.3 | 2 | UniProt (P78536) Pfam (PF13688) In PDB | Homo sapiens (Human) | A disintegrin and metalloproteinase domain 17, TNF-alpha-converting enzyme, TNF-alpha convertase, Snake venom-like protease |
2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A, B | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide | non-polymer | 467.5 | 2 | Chemie (615) | |||
4 | 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) | |||
5 | B | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
6 | water | water | 18.0 | 449 | 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 | 6 |
Total formula weight | 1673.5 | |
All* | Total formula weight | 63010.0 |