4CDF

Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide

Summary for 4CDF

Related4CDC 4CDD 4CDE
DescriptorDIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ... (7 entities in total)
Functional Keywordshydrolase, inhibitor
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains6
Total molecular weight81564.41
Authors
Primary citation
Furber, M.,Gardiner, P.,Tiden, A.K.,Mete, A.,Ford, R.,Millichip, I.,Stein, L.,Mather, A.,Kinchin, E.,Luckhurst, C.,Barber, S.,Cage, P.,Sanganee, H.,Austin, R.,Chohan, K.,Beri, R.,Thong, B.,Wallace, A.,Oreffo, V.,Hutchinson, R.,Harper, S.,Debreczeni, J.,Breed, J.,Wissler, L.,Edman, K.
Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57:2357-, 2014
PubMed: 24592859 (PDB entries with the same primary citation)
DOI: 10.1021/JM401705G
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2591 0.4% 2.4% 7.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4cdf
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Molmil generated image of 4cdf
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Molmil generated image of 4cdf
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More Biological unit images

Molmil generated image of 4cdf
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Molmil generated image of 4cdf
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Molmil generated image of 4cdf
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (4cdf.pdb2.gz [122.23 KB])
Coordinate files for Biological unit (4cdf.pdb1.gz [121.65 KB])