Structure of PDB 1h3i Chain B Binding Site BS01

Receptor Information
>1h3i Chain B (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FFFDGSTLEGYYVDDALQGQGVYTYEDGGVLQGTYVDGELNGPAQEYDTD
GRLIFKGQYKDNIRHGVCWIYYPDGGSLVGEVNEDGEMTGEKIAYVYPDE
RTALYGKFIDGEMIEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCI
STNALLPDPYESERVYVAESLISSAGEGLFSKVAVGPNTVMSFYNGVRIT
HQEVDSRDWALNGNTLSLDEETVIDVPEPYNHVSKYCASLGHKANHSFTP
NCIYDMFVHPRFGPIKCIRTLRAVEADEELTVAYGYDHSPPGK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1h3i Chain A Residue 1346 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h3i Crystal Structure and Functional Analysis of the Histone Methyltransferase Set7/9
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E279 H283
Binding residue
(residue number reindexed from 1)		E228 H232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y245 H293 H297 Y305 Y335
Catalytic site (residue number reindexed from 1) Y194 H242 H246 Y254 Y284
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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Cellular Component
External links
PDB RCSB:1h3i, PDBe:1h3i, PDBj:1h3i
PDBsum1h3i
PubMed12372304
UniProtQ8WTS6|SETD7_HUMAN Histone-lysine N-methyltransferase SETD7 (Gene Name=SETD7)

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