Structure of PDB 5f3i Chain B

Receptor sequence
>5f3iB (length=336) Species: 9606 (Homo sapiens) [Search protein sequence]
LNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRA
SYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYC
TPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTIL
DLVEVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHG
KRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGE
FMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRMVKISMD
VFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFL
3D structure
PDB5f3i 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
ChainB
Resolution2.24 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y177 H188 E190 H276 S288
Catalytic site (residue number reindexed from 1) Y161 H172 E174 H260 S272
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 B H188 E190 H276 H172 E174 H260
BS02 ZN B C234 H240 C306 C308 C218 H224 C290 C292
BS03 5UJ B Y132 Y175 Y177 F185 H188 E190 K206 W208 K241 H276 V313 Y125 Y159 Y161 F169 H172 E174 K190 W192 K225 H260 V295 MOAD: ic50=0.08uM
BindingDB: IC50=80nM
External links
PDB RCSB:5f3i, PDBe:5f3i, PDBj:5f3i
PDBsum5f3i
PubMed26741168
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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