CDK2

• CAT Number: I020638
• CAS Number: 255064-79-0
• Molecular Formula: C35H57N15O9
• Molecular Weight: 831.92
• Purity: ≥95%
• Synonyms: (2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
• InChI: InChI=1S/C35H57N15O9/c1-19(45-31(55)25(13-21-15-41-18-44-21)48-29(53)22(37)12-20-14-40-17-43-20)28(52)49-26(16-51)33(57)50-11-5-8-27(50)32(56)46-23(7-4-10-42-35(38)39)30(54)47-24(34(58)59)6-2-3-9-36/h14-15,17-19,22-27,51H,2-13,16,36-37H2,1H3,(H,40,43)(H,41,44)(H,45,55)(H,46,56)(H,47,54)(H,48,53)(H,49,52)(H,58,59)(H4,38,39,42)/t19-,22-,23-,24-,25-,26-,27-/m0/s1
• InChIKey: MSJILSSAIKNNOL-YJJSATQUSA-N
• SMILES: CC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CN=CN3)N

CDK2 is a member of the eukaryotic S/T protein kinase family and its function is to catalyze the phosphoryl transfer of ATP γ-phosphate to serine or threonine hydroxyl (denoted as S0/T0) in a protein substrate.
CDK2 (Cyclin-dependent kinase 2) is a member of the eukaryotic S/T protein kinase family and its function is to catalyze the phosphoryl transfer of ATP γ-phosphate to serine or threonine hydroxyl (denoted as S0/T0) in a protein substrate. The fully active CDK2 is in complex with HHASPRK (an optimal peptide substrate), namely interactions of CDK2 with peptide substrate and the dynamics of the G-loop. CDK2 participates in eukaryotic cell cycle regulation at the G1/S boundary. CDK2 deregulation has been proved to occur in tumor cells, evoking a strong interest in artificial and native inhibitors. CDK2 activity is tightly regulated by a complex mechanism, including a positive regulatory subunit binding, and phosphorylations at positive and/or negative regulatory sites[1].

Reference

[1]. Bártová I, The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRK. Protein Sci. 2005 Feb;14(2):445-51.
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