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4NVL

Predicting protein conformational response in prospective ligand discovery.

Summary for 4NVL
Entry DOI10.2210/pdb4nvl/pdb
Related4NVA 4NVB 4NVC 4NVD 4NVE 4NVF 4NVG 4NVH 4NVI 4NVJ 4NVK 4NVM 4NVN 4NVO
DescriptorCytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 1-(1H-benzimidazol-1-yl)propan-2-one, ... (5 entities in total)
Functional Keywordsmodel system, flexibility, dynamic, loop, side-chains, energy penalty, occupancy, boltzmann weights, flexible docking, ligand binding, oxidoreductase
Biological sourceSaccharomyces cerevisiae (Baker's yeast)
Total number of polymer chains1
Total formula weight34178.38
Authors
Fischer, M.,Fraser, J.S. (deposition date: 2013-12-05, release date: 2013-12-25, Last modification date: 2024-02-28)
Primary citationFischer, 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 (1.432 Å)
Structure validation

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