Crystal structure of the cdk2 in complex with oxindole inhibitor
Kang, Y.N., Stuckey, J.A.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Cyclin-dependent kinase 2 | 299 | Homo sapiens | Mutation(s): 1  Gene Names: CDK2, CDKN2 EC: 2.7.11.22 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P24941 (Homo sapiens) Explore P24941  Go to UniProtKB:  P24941 | |||||
PHAROS:  P24941 GTEx:  ENSG00000123374  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P24941 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
61K Query on 61K | B [auth A] | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide C20 H19 N7 O4 S CQSUILWVYSOEJC-UHFFFAOYSA-N | |||
GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |
Binding Affinity Annotations  | |||
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ID | Source | Binding Affinity | |
61K | BindingDB:  4FKV | Kd: min: 82.2, max: 251 (nM) from 2 assay(s) | |
-TΔS: min: -2.24e+1, max: 6.29 (kJ/mol) from 2 assay(s) | |||
ΔH: min: -4.48e+1, max: -1.80e+1 (kJ/mol) from 2 assay(s) | |||
ΔG: min: -4.04e+1, max: -3.90e+1 (kJ/mol) from 2 assay(s) |
Length ( Å ) | Angle ( ˚ ) |
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a = 53.657 | α = 90 |
b = 71.914 | β = 90 |
c = 72.096 | γ = 90 |
Software Name | Purpose |
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MD2 | data collection |
PHASER | phasing |
BUSTER | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |