Structure of PDB 4ask Chain A

Receptor sequence
>4askA (length=428) Species: 9606 (Homo sapiens) [Search protein sequence]
PREKLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNL
GLFSTKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTT
IAKYAQYQASSFQESLHHIIKFGTNIDLSDAKRWKPQLQELLKLPAFMRV
TSTGNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPG
DCEWFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRFVQ
RPGDLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWNEVK
NVKSIVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRESLVR
AGKKIAYQGRVKDEPAYYCNECDVEVFNILFVTSENTYLVHCEGCARRRS
AGLQGVVVLEQYRTEELAQAYDAFTLAP
3D structure
PDB4ask A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
ChainA
Resolution1.86 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.14.11.68: [histone H3]-trimethyl-L-lysine(27) 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 A C1575 C1578 C1602 C1605 C369 C372 C392 C395
BS02 K0I A R1246 T1330 N1331 Y1379 K1381 T1387 P1388 H1390 E1392 N1393 N1400 N1480 R70 T124 N125 Y173 K175 T181 P182 H184 E186 N187 N194 N274 PDBbind-CN: -logKd/Ki=7.22,IC50=60nM
BindingDB: IC50=16nM
BS03 CO A H1390 E1392 H184 E186
External links
PDB RCSB:4ask, PDBe:4ask, PDBj:4ask
PDBsum4ask
PubMed22842901
UniProtO15054|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

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