Structure of PDB 4ura Chain B

Receptor sequence
>4uraB (length=344) Species: 9606 (Homo sapiens) [Search protein sequence]
PSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRASY
DDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTP
RYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDL
VEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWY
SVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDK
VTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCR
KDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEF
3D structure
PDB4ura Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
ChainB
Resolution2.23 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) G161 Y168 H179 E181 H267 S279
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 C234 H240 C306 C308 C225 H231 C297 C299
BS02 LEL B Y132 Y177 F185 H188 K206 W208 K241 Y123 Y168 F176 H179 K197 W199 K232 MOAD: ic50=0.00000316uM
External links
PDB RCSB:4ura, PDBe:4ura, PDBj:4ura
PDBsum4ura
PubMed26682034
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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