Structure of PDB 7o2i Chain A Binding Site BS01

Receptor Information
>7o2i Chain A (length=200) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFPPQWICCDIRYLDVSILGKFAVVMADPPWDIHMELPYGTLTDDEMRRL
NIPVLQDDGFLFLWVTGRAMELGRECLNLWGYERVDEIIWVKTNQLQRII
RHWLNHGKEHCLVGVKGNPQGFNQGLDCDVIVAEVRSTSHKPDEIYGMIE
RLSPGTRKIELFGRPHNVQPNWITLGNQLDGIHLLDPDVVARFKQRYPDG
Ligand information
Ligand IDV22
InChIInChI=1S/C25H29N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)(H,29,32)
InChIKeySUWOYRGBAIBWQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4
CACTVS 3.385O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)C4=CC(=O)[n]5ccccc5N4
FormulaC25 H29 N6 O2
Name~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7o2i 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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PDB7o2i Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D377 R379 D395 Y406 G407 T408 L409 E481 S511 H512 F534 R536 G548 N549
Binding residue
(residue number reindexed from 1)		D10 R12 D28 Y39 G40 T41 L42 E109 S139 H140 F162 R164 G176 N177
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:7o2i, PDBe:7o2i, PDBj:7o2i
PDBsum7o2i
PubMed33902106
UniProtQ86U44|MTA70_HUMAN N6-adenosine-methyltransferase catalytic subunit (Gene Name=METTL3)

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