Structure of PDB 5kr7 Chain B

Receptor sequence
>5kr7B (length=339) Species: 9606 (Homo sapiens) [Search protein sequence]
LNPSCKIMTFRPSMEEFREFNKYLAYMESKGAHRAGLAKVIPPKEWKPRQ
CYDDIDNLLIPAPIQQMVTGQSGLFTQYNIQKKAMTVKEFRQLANSGKYC
TPRYLDYEDLERKYWKNLTFVAPIYGADINGSIYDEGVDEWNIARLNTVL
DVVEEECGISIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHFGEPKS
WYAIPPEHGKRLERLAQGFFPSSSQGCDAFLRHKMTLISPSVLKKYGIPF
DKITQEAGEFMITFPYGYHAGFNHGFNCAESTNFATVRWIDYGKVAKLCT
CRKDMVKISMDIFVRKFQPDRYQLWKQGKDIYTIDHTKP
3D structure
PDB5kr7 Identification of potent, selective KDM5 inhibitors.
ChainB
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G172 Y179 H190 E192 H278 S290
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.
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 FE2 B H190 E192 H278 H181 E183 H269
BS02 ZN B C236 H242 C308 C310 C227 H233 C299 C301
BS03 6X9 B Y134 Y179 F187 H190 K208 W210 H278 Y125 Y170 F178 H181 K199 W201 H269 MOAD: ic50=2.88uM
External links
PDB RCSB:5kr7, PDBe:5kr7, PDBj:5kr7
PDBsum5kr7
PubMed27476424
UniProtQ9H3R0|KDM4C_HUMAN Lysine-specific demethylase 4C (Gene Name=KDM4C)

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