Structure of PDB 6u9k Chain A

Receptor sequence

>6u9kA (length=149) Species: 9606 (Homo sapiens) [Search protein sequence]

DLPMPMRFRHLKKTSKEAVGVYRSPIHGRGLFCKRNIDAGEMVIEYAGIV
IRSILTDKREKYYDSKGIGCYMFRIDDSEVVDATMHGNAARFINHSCEPN
CYSRVINIDGQKHIVIFAMRKIYRGEELTYDYKFKLPCNCGAKKCRKFL

3D structure

PDB

6u9k Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.

Chain

Resolution

2.0 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	Y3858 Y3944
Catalytic site (residue number reindexed from 1)	Y46 Y132
Enzyme Commision number	2.1.1.- 2.1.1.364: [histone H3]-lysine(4) N-methyltransferase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	A	C3909 C3957 C3959 C3964	C97 C138 C140 C145
BS02	Q2V	A	I3838 H3839 R3841 G3881 C3882 Y3883 F3904 N3906 H3907 Y3944 C3957 N3958 L3968	I26 H27 R29 G69 C70 Y71 F92 N94 H95 Y132 C138 N139 L149	MOAD: ic50=138.4nM

External links

PDB	RCSB:6u9k, PDBe:6u9k, PDBj:6u9k
PDBsum	6u9k
PubMed	32551023
UniProt	Q03164\|KMT2A_HUMAN Histone-lysine N-methyltransferase 2A (Gene Name=KMT2A)

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