8COY
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex 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 (A, B) | subtilisin | polymer | 345 | 38003.9 | 2 | UniProt (E6Y8B9) Pfam (PF00082) | Plasmodium vivax (malaria parasite P. vivax) | |
| 2 | C, D (C, D) | peptido-mimetic inhibitor | polymer | 7 | 690.7 | 2 | synthetic construct | ||
| 3 | E, J (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 4 | F, G, H, K, L... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 5 | I, N (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | O, P, Q, R (A, B, C, D) | water | water | 18.0 | 490 | Chemie (HOH) |
Sequence modifications
A, B: 273 - 617 (UniProt: E6Y8B9)
| PDB | External Database | Details |
|---|---|---|
| Ser 361 | Asn 361 | engineered mutation |
| Ser 432 | Asn 432 | engineered mutation |
| Ser 445 | Asn 445 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 77389.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 875.0 | |
| All* | Total formula weight | 78264.1 |
