Structure of PDB 6u9r Chain B Binding Site BS01

Receptor Information
>6u9r Chain B (length=148) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPMPMRFRHLKKTSKEAVGVYRSPIHGRGLFCKRNIDAGEMVIEYAGIVI
RSILTDKREKYYDSKGIGCYMFRIDDSEVVDATMHGNAARFINHSCEPNC
YSRVINIDGQKHIVIFAMRKIYRGEELTYDYKFKLPCNCGAKKCRKFL
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 chain6u9r Chain B Residue 4001 [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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PDB6u9r Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C3909 C3959 C3964
Binding residue
(residue number reindexed from 1)		C96 C139 C144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y3858 Y3944
Catalytic site (residue number reindexed from 1) Y45 Y131
Enzyme Commision number 2.1.1.-
2.1.1.364: [histone H3]-lysine(4) N-methyltransferase.
External links
PDB RCSB:6u9r, PDBe:6u9r, PDBj:6u9r
PDBsum6u9r
PubMed32551023
UniProtQ03164|KMT2A_HUMAN Histone-lysine N-methyltransferase 2A (Gene Name=KMT2A)

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