Structure of PDB 6h4v Chain D

Receptor sequence
>6h4vD (length=343) Species: 9606 (Homo sapiens) [Search protein sequence]
ETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKP
RASYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDK
YCTPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRT
ILDLVEIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSV
PPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVT
QEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRKD
MVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
3D structure
PDB6h4v 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
Resolution2.15 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) G159 Y166 H177 E179 H265 S277
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 H177 E179 H265
BS02 ZN D C234 H240 C306 C223 H229 C295
BS03 FQN D Y132 Y175 Y177 F185 H188 E190 K206 W208 H276 Y127 Y164 Y166 F174 H177 E179 K195 W197 H265 MOAD: ic50=0.613uM
BindingDB: IC50=613nM
External links
PDB RCSB:6h4v, PDBe:6h4v, PDBj:6h4v
PDBsum6h4v
PubMed31158747
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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