Structure of PDB 4fmu Chain A Binding Site BS01

Receptor Information

>4fmu Chain A (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LVGPSCVMDDFRDPQRWKECAKQGKMPCYFDLIEENVYLTMQCECTPLSK
DERAQGEIACGEDCLNRLLMIECSSRCPNGDYCSNRRFQRKQHADVEVIL
TEKKGWGLRAAKDLPSNTFVLEYCGEVLDHKEFKARVKEYARNKNIHYYF
MALKNDEIIDATQKGNCSRFMNHSCEPNCETQKWTVNGQLRVGFFTTKLV
PSGSELTFDYQFQRYGKEAQKCFCGSANCRGYLGG

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

4fmu Chain A Residue 1801 [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	4fmu Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	C1499 C1501 C1516 C1520
Binding residue (residue number reindexed from 1)	C43 C45 C60 C64
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y1579 Y1666
Catalytic site (residue number reindexed from 1)	Y123 Y210
Enzyme Commision number	2.1.1.- 2.1.1.359: [histone H3]-lysine(36) N-trimethyltransferase.

Gene Ontology

	Molecular Function
GO:0016279	protein-lysine N-methyltransferase activity
GO:0042054	histone methyltransferase activity
GO:0046975	histone H3K36 methyltransferase activity

	Cellular Component
GO:0005634	nucleus

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4fmu, PDBe:4fmu, PDBj:4fmu
PDBsum	4fmu
PubMed	23043551
UniProt	Q9BYW2\|SETD2_HUMAN Histone-lysine N-methyltransferase SETD2 (Gene Name=SETD2)

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