2FJP

Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor

Summary for 2FJP

DescriptorDipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ... (4 entities in total)
Functional Keywordsalpha/beta, beta-propeller, dimer, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationDipeptidyl peptidase 4 soluble form: Secreted. Cell membrane; Single-pass type II membrane protein P27487
Total number of polymer chains2
Total molecular weight175111.23
Authors
Scapin, G.,Patel, S.B.,Becker, J.W. (deposition date: 2006-01-03, release date: 2006-07-04, Last modification date: 2011-07-13)
Primary citation
Edmondson, S.D.,Mastracchio, A.,Mathvink, R.J.,He, J.,Harper, B.,Park, Y.J.,Beconi, M.,Di Salvo, J.,Eiermann, G.J.,He, H.,Leiting, B.,Leone, J.F.,Levorse, D.A.,Lyons, K.,Patel, R.A.,Patel, S.B.,Petrov, A.,Scapin, G.,Shang, J.,Roy, R.S.,Smith, A.,Wu, J.K.,Xu, S.,Zhu, B.,Thornberry, N.A.,Weber, A.E.
(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49:3614-3627, 2006
PubMed: 16759103 (PDB entries with the same primary citation)
DOI: 10.1021/jm060015t
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23590.3%3.3%1.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report