Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac

Summary for 2G5P

DescriptorDipeptidyl peptidase 4, 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID (3 entities in total)
Functional Keywordsserine peptidase, beta-propeller, 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 weight168908.19
Longenecker, K.L.,Fry, E.H.,Lake, M.R.,Solomon, L.R.,Pei, Z.,Li, X. (deposition date: 2006-02-23, release date: 2006-07-04, Last modification date: 2017-10-18)
Primary citation
Pei, Z.,Li, X.,Longenecker, K.,Von Geldern, T.W.,Wiedeman, P.E.,Lubben, T.H.,Zinker, B.A.,Stewart, K.,Ballaron, S.J.,Stashko, M.A.,Mika, A.K.,Beno, D.W.,Long, M.,Wells, H.,Kempf-Grote, A.J.,Madar, D.J.,McDermott, T.S.,Bhagavatula, L.,Fickes, M.G.,Pireh, D.,Solomon, L.R.,Lake, M.R.,Edalji, R.,Fry, E.H.,Sham, H.L.,Trevillyan, J.M.
Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49:3520-3535, 2006
PubMed: 16759095 (PDB entries with the same primary citation)
DOI: 10.1021/jm051283e
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.271230.8%5.5%2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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