2G5P

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

2G5P の概要

関連するPDBエントリー2G5T
分子名称Dipeptidyl 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)
機能のキーワードserine peptidase, beta-propeller, hydrolase
由来する生物種Homo sapiens (human)
細胞内の位置Dipeptidyl peptidase 4 soluble form: Secreted . Cell membrane ; Single- pass type II membrane protein P27487
ポリマー鎖数2
分子量合計168908.19
構造登録者
Longenecker, K.L.,Fry, E.H.,Lake, M.R.,Solomon, L.R.,Pei, Z.,Li, X. (登録日: 2006-02-23, 公開日: 2006-07-04, 最終更新日: 2017-10-18)
主引用文献
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 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm051283e
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.4 Å)
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構造検証レポート

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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