4OQ7
Predicting protein conformational response in prospective ligand discovery.
Summary for 4OQ7
| Entry DOI | 10.2210/pdb4oq7/pdb |
| Descriptor | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE (3 entities in total) |
| Functional Keywords | model system, energy penalty, boltzmann weights, flexible docking, oxidoreductase |
| Biological source | Saccharomyces cerevisiae (Baker's yeast) |
| Total number of polymer chains | 1 |
| Total formula weight | 33545.07 |
| Authors | Fischer, M.,Fraser, J.S. (deposition date: 2014-02-07, release date: 2014-02-26, Last modification date: 2024-02-28) |
| Primary citation | Fischer, M.,Coleman, R.G.,Fraser, J.S.,Shoichet, B.K. Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6:575-583, 2014 Cited by PubMed: 24950326DOI: 10.1038/nchem.1954 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.89 Å) |
Structure validation
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