Structure of PDB 5a80 Chain A

Receptor sequence
>5a80A (length=351) Species: 9606 (Homo sapiens) [Search protein sequence]
ESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEW
KPRASYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANS
DKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRL
RTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFG
EPKSWYSVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKY
GIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQA
VLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEF
L
3D structure
PDB5a80 Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
ChainA
Resolution2.28 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) G167 Y174 H185 E187 H273 S285
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 MN A H188 E190 H276 H185 E187 H273
BS02 9CJ A Y132 F185 H188 E190 K206 W208 H240 K241 H276 Y129 F182 H185 E187 K203 W205 H237 K238 H273
BS03 ZN A C234 H240 C306 C231 H237 C303
External links
PDB RCSB:5a80, PDBe:5a80, PDBj:5a80
PDBsum5a80
PubMed26699912
UniProtO75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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