Structure of PDB 3lqi Chain B Binding Site BS02

Receptor Information

>3lqi Chain B (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SGNFCPLCDKCYDDDDYESKMMQCGKCDRWVHSKCENLSDEMYEILSNLP
ESVAYTCVNCTERHPAEWRLALEKELQISLKQVLTALLNSRTTSHLLRYR
QQPLDLEGVKRKMDQGNYTSVLEFSDDIVKIIQAAINSDGGQPEIKKANS
MVKSFFIRQMERVFPWFSVKKSRFWEP

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

3lqi 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	3lqi Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Resolution	1.92 Å
Binding residue (original residue number in PDB)	C1569 C1572 H1596 C1599
Binding residue (residue number reindexed from 1)	C5 C8 H32 C35
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.1.1.-
2.1.1.364: [histone H3]-lysine(4) N-methyltransferase.

External links

PDB	RCSB:3lqi, PDBe:3lqi, PDBj:3lqi
PDBsum	3lqi
PubMed	20541251
UniProt	Q03164\|KMT2A_HUMAN Histone-lysine N-methyltransferase 2A (Gene Name=KMT2A)

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