Structure of PDB 6h4o Chain A

Receptor sequence
>6h4oA (length=338) Species: 9606 (Homo sapiens) [Search protein sequence]
LNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRA
SYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYC
TPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTIL
DLVEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEH
GKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAG
EFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRKMVKIS
MDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
3D structure
PDB6h4o C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
ChainA
Resolution2.25 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G170 Y177 H188 E190 H276 S288
Catalytic site (residue number reindexed from 1) G155 Y162 H173 E175 H261 S273
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
1.14.11.69: [histone H3]-trimethyl-L-lysine(36) demethylase.
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 H188 E190 H276 H173 E175 H261
BS02 ZN A C234 H240 C306 C308 C219 H225 C291 C293
BS03 FQH A Y132 Y177 F185 H188 E190 K206 W208 K241 H276 Y125 Y162 F170 H173 E175 K191 W193 K226 H261 MOAD: ic50=0.128uM
PDBbind-CN: -logKd/Ki=6.89,IC50=0.128uM
BindingDB: IC50=128nM
External links
PDB RCSB:6h4o, PDBe:6h4o, PDBj:6h4o
PDBsum6h4o
PubMed31158747
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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