4BCK: CDK2

Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor. Determined by X-ray diffraction at 2.05 Å resolution. Released 6 Mar 2013.

Method
X-ray diffraction
Resolution
2.05 Å
Organism
HOMO SAPIENS
Chains
4
Atoms
9,757
Mol. weight
129.42 kDa
Ligands
SGM, T3E
Released
6 Mar 2013

Explore 4BCK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4BCK contains 74 α-helices and 24 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 16 helices, 11 β-strands

ElementResiduesLengthSheet
β-strand4-1291
β-strand16-2381
β-strand29-3681
α-helix46-5510
β-strand6312
β-strand66-7051
β-strand75-8171
β-strand85-8622
α-helix87-937
α-helix101-12020
β-strand123-12423
α-helix130-1323
β-strand133-13532
β-strand141-14332
β-strand150-15123
α-helix166-1683
α-helix171-1744
α-helix183-19816
α-helix208-21912
α-helix230-2323
α-helix243-2453
α-helix248-2514
α-helix257-26610
α-helix275-2762
α-helix277-2804
α-helix284-2863
α-helix292-2943
Chain B: 21 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix179-19214
α-helix194-1963
α-helix200-2023
α-helix208-22417
α-helix229-24315
α-helix253-26816
α-helix272-2743
α-helix275-2817
α-helix288-30114
α-helix311-3188
α-helix319-3213
α-helix327-33913
α-helix344-3474
α-helix352-36817
α-helix374-3807
α-helix384-39916
α-helix401-4033
α-helix408-4125
α-helix416-4183
α-helix421-4233
α-helix425-4273
Chain C: 16 helices, 13 β-strands
ElementResiduesLengthSheet
β-strand4-1184
β-strand16-2384
β-strand29-3684
β-strand3815
β-strand4315
α-helix46-5712
β-strand6316
α-helix64-652
β-strand66-7164
β-strand75-8174
β-strand85-8626
α-helix87-937
α-helix101-12020
β-strand123-12427
α-helix130-1323
β-strand133-13536
β-strand141-14336
β-strand150-15127
α-helix166-1683
α-helix171-1744
α-helix183-19816
α-helix208-21912
α-helix230-2323
α-helix243-2453
α-helix248-2514
α-helix257-2659
α-helix275-2762
α-helix277-2804
α-helix284-2863
Chain D: 21 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix179-18911
α-helix194-1963
α-helix199-2024
α-helix208-22417
α-helix229-24315
α-helix250-2523
α-helix253-26816
α-helix272-2743
α-helix275-2817
α-helix288-30114
α-helix311-3188
α-helix327-34216
α-helix344-3474
α-helix352-36817
α-helix374-3807
α-helix388-39912
α-helix401-4033
α-helix408-4125
α-helix416-4183
α-helix421-4233
α-helix425-4262

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Cyclin-dependent kinase 2A, Cprotein300HOMO SAPIENSP24941 (AlphaFold model)
Cyclin-A2B, Dprotein262HOMO SAPIENSP20248 (AlphaFold model)
Sequence of entity 1 (A, C), FASTA
>4BCK_1 CYCLIN-DEPENDENT KINASE 2 (chains A, C)
GSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKEL
NHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFC
HSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCK
YYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKP
SFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Sequence of entity 2 (B, D), FASTA
>4BCK_2 CYCLIN-A2 (chains B, D)
SVNEVPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNE
TLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQ
VLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKY
LPSVIAGAAFHLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIR
EKYKNSKYHGVSLLNPPETLNL

Ligands and cofactors

IDNameFormulaCopies
SGMMonothioglycerolC3 H8 O2 S1
T3E3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]b…C16 H15 N7 O2 S22

Primary citation

Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. Hole, A.J., Baumli, S., Shao, H. et al. J Med Chem (2013) 56:660. DOI 10.1021/JM301495V · PubMed

Other PDB entries of the same protein (UniProt P24941 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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