Structure of PDB 6ak4 Chain A Binding Site BS01

Receptor Information
>6ak4 Chain A (length=425) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGSHMTPKDDEFYQQWQLKYPKLILREASSVSEELHKEVQEAFLTLHKHG
CLFRDLVRIQGKDLLTPVSRILIGNPGCTYKYLNTRLFTVPWPVKGAEIA
AACETFLKLNDYLQIETIQALEELAADIKSRAAYNVTLLNFMDPQKMPYL
KEEPYFGMGKMAVSWHHDENLVDRSAVAVYSYSCEGRDPDIWHVGFKISW
DIETPGLAIPLHQGDCYFMLDDLNATHQHCVLAGSQPRFSSTHRVAECST
GTLDYILQRCQLALQNVCDDVDNDDVSLKSFEPAVLKQGEEIHNEVEFEW
LRQFWFQGNRYRKCTDWWCQPMAQLEALWKKMEGVTNAVLHEVKREGLPV
EQRNEILTAILASLTARQNLRREWHARCQSRIARTLPADQKPECRPYWEK
DDASMPLPFDLTDIVSELRGQLLEA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6ak4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ak4 Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H231 D233 H307
Binding residue
(residue number reindexed from 1)		H166 D168 H229
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.-
1.14.11.53: mRNA N(6)-methyladenine demethylase.
Gene Ontology
Molecular Function
GO:0035515 oxidative RNA demethylase activity
GO:0035516 broad specificity oxidative DNA demethylase activity
Biological Process
GO:0006307 DNA alkylation repair
GO:0040014 regulation of multicellular organism growth
GO:0042245 RNA repair

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6ak4, PDBe:6ak4, PDBj:6ak4
PDBsum6ak4
PubMed30996080
UniProtQ9C0B1|FTO_HUMAN Alpha-ketoglutarate-dependent dioxygenase FTO (Gene Name=FTO)

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