4NVJ
Predicting protein conformational response in prospective ligand discovery.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Cytochrome c peroxidase | polymer | 289 | 32928.6 | 1 | UniProt (B3LRE1) Pfam (PF00141) | Saccharomyces cerevisiae (Baker's yeast) | |
| 2 | B (B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (B) | dimethyl benzoylphosphoramidate | non-polymer | 229.2 | 1 | Chemie (2NX) | |||
| 4 | D (B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 5 | E (B) | water | water | 18.0 | 127 | Chemie (HOH) |
Sequence modifications
B: 4 - 292 (UniProt: B3LRE1)
| PDB | External Database | Details |
|---|---|---|
| Gly 190 | Pro 258 | engineered mutation |
| Gly 191 | Trp 259 | engineered mutation |
| - | Gly 260 | deletion |
| - | Ala 261 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32928.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1040.9 | |
| All* | Total formula weight | 33969.5 |
