CDK2 in complex with inhibitor KVR-1-134

Summary for 3R1Y

Related3QL8 3QQF 3QQG 3QQH 3QQJ 3QQK 3QQL 3QRT 3QRU 3QTQ 3QTR 3QTS 3QTU 3QTW 3QTX 3QTZ 3QU0 3QWJ 3QWK 3QX2 3QX4 3QXO 3QXP 3QZF 3QZG 3QZH 3QZI 3R1Q 3R1S 3R28 3R6X 3R71 3R73 3R7E 3R7I 3R7U 3R7V 3R7Y 3R83 3R8L 3R8M 3R8P 3R8U 3R8V 3R8Z 3R9D 3R9H 3R9N 3R9O 3RAH 3RAI 3RAK 3RAL 3RJC 3RK5 3RK7 3RK9 3RKB 3RM6 3RM7 3RMF 3RNI 3ROY 3RPO 3RPR 3RPV 3RPY 3RZB 3S00 3S0O 3S1H 3SQQ
DescriptorCyclin-dependent kinase 2, 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, ... (4 entities in total)
Functional Keywordsprotein kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm, cytoskeleton, centrosome P24941
Total number of polymer chains1
Total molecular weight35050.68
Betzi, S.,Alam, R.,Han, H.,Becker, A.,Schonbrunn, E. (deposition date: 2011-03-11, release date: 2012-08-08)
Primary citation
Schonbrunn, E.,Becker, A.,Betzi, S.,Alam, R.,Han, H.,Rawle, F.,Katta, V.,Jakkaraj, J.,Chakrasali, R.,Neelam, S.,Hook, D.,Tash, J.,Georg, G.
Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23312 0.7% 1.5% 16.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28