2WIH

STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125

Summary for 2WIH

Related1H08 1PYE 2VTH 2B53 1V1K 1KE7 1OKV 1H25 1PXK 2BHH 2UUE 2VTA 1GZ8 1E1V 1OL2 1H27 1JSV 2B52 2WHA 1KE5 1FIN 2C5O 2C68 2VTT 1P2A 2VTQ 2C4G 1H1Q 1W0X 2W05 1PXO 1KE9 1HCK 2A0C 1JSU 1PXN 2UZE 2VTM 2V0D 1OIQ 1H1R 2IW8 1PW2 1HCL 1GIH 2WHB 2W06 2VTN 1JST 1OIU 1PXM 1B38 1FQ1 1VYW 1H1P 2C69 1URC 1PXI 2C6I 1YKR 2W17 2C5Y 2UZD 2C6K 1WCC 2J9M 1VYZ 2VTI 1JVP 1W98 1PKD 1P5E 2VTS 2C5P 2UZN 2B54 1KE6 1PXJ 2UZL 2CCI 2BKZ 2G9X 1Y91 2IW6 1GIJ 1R78 1H0V 2IW9 1W8C 1BUH 2BPM 2BTS 1FVV 1OKW 2VTP 2A4L 2C6T 1FVT 1QMZ 2W1H 2VU3 1OGU 2B55 1PF8 1H1S 2JGZ 2C5V 2BHE 1URW 1OIY 2C6L 2C6O 1F5Q 2VTL 1OL1 2WFY 2UZB 1H01 1OIR 1OI9 2VTJ 2CJM 2C5X 2WEV 2C5N 2C6M 1OIT 1GY3 2V22 1GII 2VV9 1DI8 1E9H 1DM2 2VTO 2UZO 1H24 1H00 2EXM 2CLX 1PXP 2CCH 2BTR 1B39 1AQ1 1H0W 1G5S 1CKP 1H28 1KE8 1PXL 1H26 2VTR 1H07 1E1X 1Y8Y
DescriptorCELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... (5 entities in total)
Functional Keywordscell cycle, atp-binding, transferase, polymorphism, phosphorylation, nucleotide-binding, cell division, serine/threonine-protein 2 kinase, phosphoprotein, serine/threonine-protein kinase, mitosis
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains4
Total molecular weight132078.91
Authors
Primary citation
Brasca, M.G.,Amboldi, N.,Ballinari, D.,Cameron, A.D.,Casale, E.,Cervi, G.,Colombo, M.,Colotta, F.,Croci, V.,Dalessio, R.,Fiorentini, F.,Isacchi, A.,Mercurio, C.,Moretti, W.,Panzeri, A.,Pastori, W.,Pevarello, P.,Quartieri, F.,Roletto, F.,Traquandi, G.,Vianello, P.,Vulpetti, A.,Ciomei, M.
Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52:5152-, 2009
PubMed: 19603809 (PDB entries with the same primary citation)
DOI: 10.1021/JM9006559
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.5 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.212130 3.3% 3.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2wih
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Molmil generated image of 2wih
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Molmil generated image of 2wih
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More Biological unit images

Molmil generated image of 2wih
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Molmil generated image of 2wih
rotated about x axis by 90°
Molmil generated image of 2wih
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (2wih.pdb1.gz [96.24 KB])
Coordinate files for Biological unit (2wih.pdb2.gz [95.65 KB])