Structure of PDB 3lqi Chain C Binding Site BS02

Receptor Information
>3lqi Chain C (length=181) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGNFCPLCDKCYDDDDYESKMMQCGKCDRWVHSKCENLSDEMYEILSNLP
ESVAYTCVNCTERHPAEWRLALEKELQISLKQVLTALLNSRTTSHLLRYQ
QPLDLEGVKRKMDQGNYTSVLEFSDDIVKIIQAAINSDGGQPEIKKANSM
VKSFFIRQMERVFPWFSVKKSRFWEPNKVSS
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 chain3lqi Chain C Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3lqi Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		C1569 C1572 H1596 C1599
Binding residue
(residue number reindexed from 1)		C5 C8 H32 C35
Annotation score1
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
PDBsum3lqi
PubMed20541251
UniProtQ03164|KMT2A_HUMAN Histone-lysine N-methyltransferase 2A (Gene Name=KMT2A)

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