Structure of PDB 6p0r Chain A Binding Site BS05

Receptor Information
>6p0r Chain A (length=255) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKQRIALQRWQDELNRRKNHKGMIFVENTVDLEGPPSDFYYINEYKPAPG
ISLVNEATFGCSCTDCFFQKCCPAEAGVLLAYNKNQQIKIPPGTPIYECN
SRCQCGPDCPNRIVQKGTQYSLCIFRTSNGRGWGVKTLVKIKRMSFVMEY
VGEVITSEEAERRGQFYGITYLFDLDYESDEFTVDAARYGNVSHFVNHSC
DPNLQVFNVFIDNLDTRLPRIALFSTRTINAGEELTFDYQMKRTVCKCVT
CRGYL
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 chain6p0r Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p0r Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C196 C229 C235 C239
Binding residue
(residue number reindexed from 1)		C66 C99 C105 C109
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.355: [histone H3]-lysine(9) N-trimethyltransferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0042054 histone methyltransferase activity
GO:0046974 histone H3K9 methyltransferase activity
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Cellular Component
External links
PDB RCSB:6p0r, PDBe:6p0r, PDBj:6p0r
PDBsum6p0r
PubMed
UniProtQ9H5I1|SUV92_HUMAN Histone-lysine N-methyltransferase SUV39H2 (Gene Name=SUV39H2)

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