Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T51565 Target Info
Target Name Casein kinase II alpha (CSNK2A1)
Synonyms Protein kinase CK2; Casein kinase II subunit alpha; CK2A1; CK II alpha; CK II
Target Type Clinical trial Target
Gene Name CSNK2A1
Biochemical Class Kinase
UniProt ID
CSK21_HUMAN
Ligand General Information  Top
Ligand Name 2-{[(2e)-4-Chlorobut-2-Enoyl]amino}-2-Deoxy-Beta-D-Glucopyranose Ligand Info
Canonical SMILES C(C=CC(=O)NC1C(C(C(OC1O)CO)O)O)Cl
InChI 1S/C10H16ClNO6/c11-3-1-2-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h1-2,5,7-10,13,15-17H,3-4H2,(H,12,14)/b2-1+/t5-,7-,8-,9-,10-/m1/s1
InChIKey LKECTNVLFDGIBK-KKRTVAFTSA-N
PubChem Compound ID 131700143
Drug Binding Sites of Target  Top
PDB ID: 5VIF      Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Method X-ray diffraction Resolution 2.25 Å Mutation No [1]
PDB Sequence
YPGGSTPVSS
22
AN
Residue
Distance (Å)
SER21
1.405
Residue
Distance (Å)
PDB ID: 5VIE      Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Method X-ray diffraction Resolution 2.60 Å Mutation No [1]
PDB Sequence
YPGGSTPVSS
22
AN
Residue
Distance (Å)
SER21
1.340
Residue
Distance (Å)
References  Top
REF 1 Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase. Nat Chem Biol. 2017 Dec;13(12):1267-1273.

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