7ACK: CDK2/cyclin A2

CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor. Determined by X-ray diffraction at 1.8 Å resolution. Released 24 Mar 2021.

Method

X-ray diffraction

Resolution

1.8 Å

Organism

Homo sapiens

Chains

4

Atoms

9,743

Mol. weight

128.82 kDa

Ligands

R7B

Released

24 Mar 2021

Explore 7ACK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7ACK contains 72 α-helices and 22 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

Molecules and chains

>7ACK_1 Cyclin-dependent kinase 2 (chains A, C)
SMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELN
HPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCH
SHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKY
YSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPS
FPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

>7ACK_2 Cyclin-A2 (chains B, D)
VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHL
AVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRM
EHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSV
IAGAAFHLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYK
NSKYHGVSLLNPPETLNL

Ligands and cofactors

Water and common crystallization additives (EDO, NA, NO3) are not listed.

Primary citation

Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. Jansa, J., Jorda, R., Skerlova, J. et al. Eur J Med Chem (2021) 216:113309-113309. DOI 10.1016/j.ejmech.2021.113309 · PubMed

Related structures

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

• 6Q4G 0.98 Å, CDK2 in complex with FragLite37
• 6Q49 1.0 Å, CDK2 in complex with FragLite6
• 6Q4H 1.0 Å, CDK2 in complex with FragLite36
• 6Q48 1.03 Å, CDK2 in complex with FragLite7
• 6Q4J 1.05 Å, CDK2 in complex with FragLite34
• 6Q4E 1.06 Å, CDK2 in complex with FragLite33
• 6Q4K 1.06 Å, CDK2 in complex with FragLite38
• 6Q4D 1.07 Å, CDK2 in complex with FragLite31
• 6Q3B 1.11 Å, CDK2 in complex with FragLite2
• 6Q4I 1.11 Å, CDK2 in complex with FragLite35
• 6Q4B 1.12 Å, CDK2 in complex with FragLite13
• 6Q4A 1.13 Å, CDK2 in complex with FragLite14

Browse structure collections

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