Structure of PDB 5ih5 Chain A Binding Site BS01

Receptor Information

>5ih5 Chain A (length=287) Species: 9606 (Homo sapiens)

ELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHI
ESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFS
LKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFG
LAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGY
VLMYFNLGSLPWQGLQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRS
LRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5ih5 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ih5 Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): H50 C71
• Binding residue (residue number reindexed from 1): H49 C70
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D128 K130
• Catalytic site (residue number reindexed from 1): D127 K129
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.
  2.7.11.26: [tau protein] kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:5ih5, PDBe:5ih5, PDBj:5ih5
• PDBsum: 5ih5
• PubMed: 27049670
• UniProt: P48730|KC1D_HUMAN Casein kinase I isoform delta (Gene Name=CSNK1D)