Structure of PDB 4ai9 Chain B

Receptor sequence

>4ai9B (length=349) Species: 9606 (Homo sapiens) [Search protein sequence]

TLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPR
ASYDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKY
CTPRYSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTI
LDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPK
SWYSVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIP
FDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLC
SCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLK

3D structure

PDB

4ai9 Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.

Chain

Resolution

2.25 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)	G164 Y171 H182 E184 H270 S282
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	C228 H234 C300 C302
BS02	DZA	B	Y132 F185 H188 E190 K206 H276	Y126 F179 H182 E184 K200 H270	BindingDB: IC50=>3300000nM

External links

PDB	RCSB:4ai9, PDBe:4ai9, PDBj:4ai9
PDBsum	4ai9
PubMed	22724510
UniProt	O75164\|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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