Structure of PDB 3ope Chain B Binding Site BS01

Receptor Information

>3ope Chain B (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SYKKIRSNVYVDVKPLSCVDDCLNRMIFAECSPNTCPCGEQCCNQRIQRH
EWVQCLERFRAEEKGWGIRTKEPLKAGQFIIEYLGEVVSEQEFRNRMIEQ
YHNHSDHYCLNLDSGMVIDSYRMGNEARFINHSCDPNCEMQKWSVNGVYR
IGLYALKDMPAGTELTYDYNFHSFNVEKQQLCKCGFEKCRGII

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

3ope Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3ope Crystal structure of the human histone methyltransferase ASH1L catalytic domain and its implications for the regulatory mechanism
Resolution	2.9 Å
Binding residue (original residue number in PDB)	C2220 C2268 C2275
Binding residue (residue number reindexed from 1)	C134 C182 C189
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y2169 Y2255
Catalytic site (residue number reindexed from 1)	Y83 Y169
Enzyme Commision number	2.1.1.359: [histone H3]-lysine(36) N-trimethyltransferase. 2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.

Gene Ontology

	Molecular Function
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:3ope, PDBe:3ope, PDBj:3ope
PDBsum	3ope
PubMed	21239497
UniProt	Q9NR48\|ASH1L_HUMAN Histone-lysine N-methyltransferase ASH1L (Gene Name=ASH1L)

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