Structure of PDB 7o27 Chain A Binding Site BS01

Receptor Information
>7o27 Chain A (length=199) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFPPQWICCDIRYLDVSILGKFAVVMADPPWDIPYGTLTDDEMRRLNIPV
LQDDGFLFLWVTGRAMELGRECLNLWGYERVDEIIWVKTNQLQRIIHWLN
HGKEHCLVGVKGNPQGFNQGLDCDVIVAEVRSTSHKPDEIYGMIERLSPG
TRKIELFGRPHNVQPNWITLGNQLDGIHLLDPDVVARFKQRYPDGIISK
Ligand information
Ligand IDUYZ
InChIInChI=1S/C28H37N7O/c1-27(2)8-13-33(14-9-27)17-21-3-5-22(6-4-21)35-18-24(36)32-28(19-35)10-15-34(16-11-28)26-23-7-12-29-25(23)30-20-31-26/h3-7,12,20H,8-11,13-19H2,1-2H3,(H,32,36)(H,29,30,31)
InChIKeyBJJFIFKPWWSNGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5ncnc6[nH]ccc56)C3
OpenEye OEToolkits 2.0.7CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C
FormulaC28 H37 N7 O
Name4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one;
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
ChEMBLCHEMBL5084119
DrugBank
ZINC
PDB chain7o27 Chain A Residue 601 [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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PDB7o27 Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D377 I378 D395 P396 Y406 L409 E481 S511 K513 F534 G535 R536 G548 N549
Binding residue
(residue number reindexed from 1)		D10 I11 D28 P29 Y35 L38 E104 S134 K136 F157 G158 R159 G171 N172
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:7o27, PDBe:7o27, PDBj:7o27
PDBsum7o27
PubMed
UniProtQ86U44|MTA70_HUMAN N6-adenosine-methyltransferase catalytic subunit (Gene Name=METTL3)

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