Structure of PDB 6h4r Chain D

Receptor sequence
>6h4rD (length=334) Species: 9606 (Homo sapiens) [Search protein sequence]
PSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRASY
DDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTP
RYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDL
VGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR
LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFM
ITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRMVKISMDVF
VRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
3D structure
PDB6h4r 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
Resolution2.14 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) G152 Y159 H170 E172 H258 S270
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 H170 E172 H258
BS02 ZN D C234 H240 C306 C308 C216 H222 C288 C290
BS03 FQB D Y132 D135 Y177 F185 H188 E190 K206 W208 H276 Y123 D126 Y159 F167 H170 E172 K188 W190 H258 MOAD: Ki=0.004nM
BindingDB: Ki=4.0nM,IC50=93nM
External links
PDB RCSB:6h4r, PDBe:6h4r, PDBj:6h4r
PDBsum6h4r
PubMed31158747
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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