4MNV
Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Urokinase-type plasminogen activator chain B | polymer | 245 | 27586.4 | 1 | UniProt (P00749) Pfam (PF00089) | Homo sapiens (human) | U-plasminogen activator, uPA |
| 2 | B (B) | acyl-enzyme intermediate of bicyclic peptide UK729 | polymer | 10 | 1158.4 | 1 | |||
| 3 | C (C) | acyl-enzyme intermediate of bicyclic peptide UK729 | polymer | 4 | 317.4 | 1 | |||
| 4 | D (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | E, F (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | G (B) | 1,3,5-tris(bromomethyl)benzene | non-polymer | 356.9 | 1 | Chemie (ZBR) | |||
| 7 | H (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | I, J, K (A, B, C) | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence modifications
A: 16 - 242 (UniProt: P00749)
| PDB | External Database | Details |
|---|---|---|
| Ala 122 | Cys 299 | engineered mutation |
| Gln 145 | Asn 322 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 29062.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 663.1 | |
| All* | Total formula weight | 29725.3 |
