Structure of PDB 6h4y Chain D

Receptor sequence
>6h4yD (length=339) Species: 9606 (Homo sapiens) [Search protein sequence]
PSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRASY
DDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTP
RYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDL
VEKESGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPE
HGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEA
GEFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRDMVKI
SMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
3D structure
PDB6h4y 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.
ChainD
Resolution2.38 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) G156 Y163 H174 E176 H262 S274
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 D H188 E190 H276 H174 E176 H262
BS02 ZN D C234 H240 C306 C308 C220 H226 C292 C294
BS03 FO8 D Y132 Y175 Y177 F185 H188 E190 K206 W208 K241 H276 Y123 Y161 Y163 F171 H174 E176 K192 W194 K227 H262 MOAD: ic50=0.077uM
BindingDB: IC50=77nM
External links
PDB RCSB:6h4y, PDBe:6h4y, PDBj:6h4y
PDBsum6h4y
PubMed31158747
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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