Structure of PDB 7o0q Chain A Binding Site BS01

Receptor Information
>7o0q Chain A (length=198) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFPPQWICCDIRYLDVSILGKFAVVMADPPWDIPYGTLTDDEMRRLNIPV
LQDDGFLFLWVTGRAMELGRECLNLWGYERVDEIIWVKTNQLQRIIGHWL
NHGKEHCLVGVKGNPQGFNQGLDCDVIVAEVRSTSHKPDEIYGMIERLSP
GTRKIELFGRPHNVQPNWITLGNQLDGIHLLDPDVVARFKQRYPDGII
Ligand information
Ligand IDUY2
InChIInChI=1S/C26H37N7O/c1-25(2)8-12-31(13-9-25)17-20-4-6-21(7-5-20)33-18-26(30-24(33)34)10-14-32(15-11-26)23-16-22(27-3)28-19-29-23/h4-7,16,19H,8-15,17-18H2,1-3H3,(H,30,34)(H,27,28,29)
InChIKeyJSLLBTAATPZHSC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNc1cc(ncn1)N2CCC3(CC2)CN(C(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4
OpenEye OEToolkits 2.0.7CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C
FormulaC26 H37 N7 O
Name3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one
ChEMBLCHEMBL5083959
DrugBank
ZINC
PDB chain7o0q 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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PDB7o0q Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
Resolution2.49 Å
Binding residue
(original residue number in PDB)		D377 I378 R379 D395 Y406 L409 W431 E481 S511 K513 F534 R536 G548 N549
Binding residue
(residue number reindexed from 1)		D10 I11 R12 D28 Y35 L38 W60 E105 S135 K137 F158 R160 G172 N173
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.348: mRNA m(6)A methyltransferase.
Gene Ontology
Molecular Function
GO:0001734 mRNA m(6)A methyltransferase activity
Biological Process
GO:0001510 RNA methylation
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o0q, PDBe:7o0q, PDBj:7o0q
PDBsum7o0q
PubMed
UniProtQ86U44|MTA70_HUMAN N6-adenosine-methyltransferase catalytic subunit (Gene Name=METTL3)

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