Structure of PDB 3u4s Chain A

Receptor sequence

>3u4sA (length=345) Species: 9606 (Homo sapiens)

LNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRA
SYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYC
TPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTIL
DLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKS
WYSVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPF
DKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCS
CRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAE

3D structure

• PDB: 3u4s Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
• Chain: A
• Resolution: 2.15 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G170 Y177 H188 E190 H276 S288
• Catalytic site (residue number reindexed from 1): G163 Y170 H181 E183 H269 S281
• 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	peptide	A	N86 D135 E169 G170 Y175 Y177 H240 K241 M242 S288 N290 R309 D311 V313	N79 D128 E162 G163 Y168 Y170 H233 K234 M235 S281 N283 R302 D304 V306
BS02	ZN	A	C234 H240 C306 C308	C227 H233 C299 C301
BS03	08P	A	Y132 Y177 F185 H188 E190 S196 N198 K206 W208 H276	Y125 Y170 F178 H181 E183 S189 N191 K199 W201 H269

External links

• PDB: RCSB:3u4s, PDBe:3u4s, PDBj:3u4s
• PDBsum: 3u4s
• PubMed: 22241642
• UniProt: O75164|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)