Structure of PDB 6h4x Chain D

Receptor sequence
>6h4xD (length=337) Species: 9606 (Homo sapiens) [Search protein sequence]
PSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRASY
DDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTP
RYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDL
VEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGK
RLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEF
MITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRKDMVKISM
DVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
3D structure
PDB6h4x 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
Resolution2.34 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) G153 Y160 H171 E173 H259 S271
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 H171 E173 H259
BS02 ZN D C234 H240 C306 C308 C217 H223 C289 C291
BS03 FNQ D Y132 Y175 Y177 F185 H188 E190 K206 W208 H276 Y123 Y158 Y160 F168 H171 E173 K189 W191 H259 MOAD: ic50=0.131uM
BindingDB: IC50=131nM
External links
PDB RCSB:6h4x, PDBe:6h4x, PDBj:6h4x
PDBsum6h4x
PubMed31158747
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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