3Q2G
Adamts1 in complex with a novel N-hydroxyformamide inhibitors
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) | A disintegrin and metalloproteinase with thrombospondin motifs 1 | polymer | 297 | 32578.6 | 2 | UniProt (Q9UHI8) Pfam (PF01421) Pfam (PF17771) | Homo sapiens (human) | ADAMTS-1 |
| 2 | C, R (A, B) | N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide | non-polymer | 563.5 | 2 | Chemie (QGF) | |||
| 3 | D, S (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, F, H, I, V (A, B) | CADMIUM ION | non-polymer | 112.4 | 5 | Chemie (CD) | |||
| 5 | AA, G, J, K, L... (B, A) | NICKEL (II) ION | non-polymer | 58.7 | 14 | Chemie (NI) | |||
| 6 | P (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 7 | Q (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 8 | BA, CA (A, B) | water | water | 18.0 | 141 | Chemie (HOH) |
Sequence modifications
A, B: 4 - 296 (UniProt: Q9UHI8)
| PDB | External Database | Details |
|---|---|---|
| Leu 297 | - | expression tag |
| Val 298 | - | expression tag |
| Pro 299 | - | expression tag |
| Arg 300 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65157.1 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 2688.8 | |
| All* | Total formula weight | 67845.9 |
