Structure of PDB 3bo5 Chain A Binding Site BS01

Receptor Information
>3bo5 Chain A (length=269) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEQLDVACGQENLPVGAWPPGAAPAPFQYTPDHVVGPGADIDPTQITFPG
CICVKTPCLPGTCSCLRHGENYDDNSCLRDKYAEPVFECNVLCRCSDHCR
NRVVQKGLQFHFQVFKTHKKGWGLRTLEFIPKGRFVCEYAGEVLGFSEVQ
RRIHLQTKSDSNYIIAIREHVMETFVDPTYIGNIGRFLNHSCEPNLLMIP
VRIDSMVPKLALFAAKDIVPEEELSYDYSGRYLNLTVSASKERLDHGKLR
KPCYCGAKSCTAFLPFDSS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3bo5 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bo5 The Crystal Structure of Methyltransferase Domain of Human Histone-lysine N-methyltransferase SETMAR in Complex With AdoHcy.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C61 C75 C104 C108
Binding residue
(residue number reindexed from 1)		C51 C65 C89 C93
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y154 Y248
Catalytic site (residue number reindexed from 1) Y139 Y228
Enzyme Commision number 2.1.1.357: [histone H3]-lysine(36) N-dimethyltransferase.
3.1.-.-
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0042054 histone methyltransferase activity
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Cellular Component
External links
PDB RCSB:3bo5, PDBe:3bo5, PDBj:3bo5
PDBsum3bo5
PubMed
UniProtQ53H47|SETMR_HUMAN Histone-lysine N-methyltransferase SETMAR (Gene Name=SETMAR)

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