X-ray induced covalent inhibition of 14-3-3

Summary for 3RDH

Descriptor14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION, ... (4 entities in total)
Functional Keywordsphosphoser/thr-mimetic agent, phosphoserine/threonine-recognition protein, signaling protein-inhibitor complex, signaling protein/inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P63104
Total number of polymer chains4
Total molecular weight114053.29
Horton, J.R.,Upadhyay, A.K.,Fu, H.,Cheng, X. (deposition date: 2011-04-01, release date: 2011-09-28, Last modification date: 2011-10-12)
Primary citation
Zhao, J.,Du, Y.,Horton, J.R.,Upadhyay, A.K.,Lou, B.,Bai, Y.,Zhang, X.,Du, L.,Li, M.,Wang, B.,Zhang, L.,Barbieri, J.T.,Khuri, F.R.,Cheng, X.,Fu, H.
Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108:16212-16216, 2011
PubMed: 21908710 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1100012108
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.285172.9%2.5%5.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution