4bi1 Summary details

pdbe.org/4bi1/summary_details
spacer Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor
Summary
Header TRANSFERASEsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.7 Å, R-factor: 18.96%, Free R-factor: 22.83%, Spacegroup: I 2 2 2
Released 22/05/2013, deposition: 09/04/2013, last revision: 05/06/2013
Authors Langdon, S.R.search; Westwood, I.M.search; van Montfort, R.L.M.search; Brown, N.search; Blagg, J.search
Primary citation Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.CHEM.INF.MODEL.search vol:53, pag:1100 (2013) [PubMed 23672464 ]search
Keywords TRANSFERASEsearch, PROTEIN KINASEsearch, MITOSISsearch
EC 2.7.12.1 ExPASy BRENDA search (A)
Organism Homo sapiens(human) 9606search(A)
UniProt P33981search (A)
Solvent A
Related entries 4bhz, 4bi0, 4bi2
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A DUAL SPECIFICITY PROTEIN KINASE TTK Protein P33981 (TTK_HUMAN)search
313 80%
Heterogens
Chain Id Name Ligands
A 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL 7PE search
A THIENO[3,2-C][2,6]NAPHTHYRIDINE ZO6 search
A 1,2-ETHANEDIOL EDO search
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