4NVB
Predicting protein conformational response in prospective ligand discovery.
Summary for 4NVB
Entry DOI | 10.2210/pdb4nvb/pdb |
Related | 4NVA 4NVC 4NVD 4NVE 4NVF 4NVG 4NVH 4NVI 4NVJ 4NVK 4NVL 4NVM 4NVN 4NVO |
Descriptor | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 2-AMINO-5-METHYLTHIAZOLE, ... (4 entities in total) |
Functional Keywords | model system, flexibility, dynamic, loop, side-chains, energy penalty, occupancy, boltzmann weights, flexible docking, ligand binding, oxidoreductase |
Biological source | Saccharomyces cerevisiae (Baker's yeast) |
Total number of polymer chains | 1 |
Total formula weight | 33775.42 |
Authors | Fischer, M.,Fraser, J.S. (deposition date: 2013-12-05, release date: 2013-12-18, 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 (1.17 Å) |
Structure validation
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