Structure of PDB 2c47 Chain A Binding Site BS01

Receptor Information
>2c47 Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNFRVGKKIELRLGKNLYTNEYVAIKLEPIKSRAPQLHLEYRFYKQLSAT
EGVPQVYYFGPCGKYNAMVLELLGPSLEDLFDLCDRTFTLKTVLMIAIQL
ITRMEYVHTKSLIYRDVKPENFLVGRPGTKRQHAIHIIDFGLAKEYIDPE
TKKHIPYREHKSLTGTARYMSINTHLGKEQSRRDDLEALGHMFMYFLRGS
LPWQGLKADTLKERYQKIGDTKRATPIEVLCENFPEEMATYLRYVRRLDF
FEKPDYDYLRKLFTDLFDRSGFVFDYEYDWAGKPLPTPI
Ligand information
Ligand ID5ID
InChIInChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKeyWHSIXKUPQCKWBY-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I
CACTVS 3.341Nc1ncnc2n(cc(I)c12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
CACTVS 3.341Nc1ncnc2n(cc(I)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)I
FormulaC11 H13 I N4 O4
Name(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL;
5-IODOTUBERCIDIN
ChEMBLCHEMBL99203
DrugBankDB04604
ZINCZINC000005161616
PDB chain2c47 Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2c47 The Structure of Casein Kinase 1 Gamma 2
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L60 E120 L121 L122 E169 L172 I187
Binding residue
(residue number reindexed from 1)		L11 E71 L72 L73 E120 L123 I138
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D165 K167 T215
Catalytic site (residue number reindexed from 1) D116 K118 T166
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2c47, PDBe:2c47, PDBj:2c47
PDBsum2c47
PubMed
UniProtP78368|KC1G2_HUMAN Casein kinase I isoform gamma-2 (Gene Name=CSNK1G2)

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