4NVN

Predicting protein conformational response in prospective ligand discovery

Summary for 4NVN

Entry DOI	10.2210/pdb4nvn/pdb
Related	4NVA 4NVB 4NVC 4NVD 4NVE 4NVF 4NVG 4NVH 4NVI 4NVJ 4NVK 4NVL 4NVM 4NVO
Descriptor	Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, ... (5 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	34028.20
Authors	Fischer, M.,Fraser, J.S. (deposition date: 2013-12-05, release date: 2013-12-25, 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: 24950326 DOI: 10.1038/nchem.1954 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.47 Å)

Structure validation