Structure of PDB 3m5a Chain A Binding Site BS05

Receptor Information
>3m5a Chain A (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHGVCWIYYPDGGSLVGEVNEDGEMTGEKIAYVYPDERTALYGKFIDGEM
IEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCISTNALLPDPYESE
RVYVAESLISSAGEGLFSKVAVGPNTVMSFANGVRITHQEVDSRDWALNG
NTLSLDEETVIDVPEPYNHVSKYCASLGHKANHSFTPNCIYDMFVHPRFG
PIKCIRTLRAVEADEELTVAYGYDHSPGPEAPEWYQVELKAFQATQ
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain3m5a Chain A Residue 7 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m5a SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H283 S285
Binding residue
(residue number reindexed from 1)		H169 S171
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A245 H293 H297 Y305 Y335
Catalytic site (residue number reindexed from 1) A131 H179 H183 Y191 Y221
Enzyme Commision number 2.1.1.364: [histone H3]-lysine(4) N-methyltransferase.
Gene Ontology
Molecular Function
GO:0016279 protein-lysine N-methyltransferase activity
GO:0140945 histone H3K4 monomethyltransferase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005694 chromosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3m5a, PDBe:3m5a, PDBj:3m5a
PDBsum3m5a
PubMed20675860
UniProtQ8WTS6|SETD7_HUMAN Histone-lysine N-methyltransferase SETD7 (Gene Name=SETD7)

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