Structure of PDB 5a3t Chain A

Receptor sequence
>5a3tA (length=454) Species: 9606 (Homo sapiens) [Search protein sequence]
SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPP
FACDVDKLHFTPRIQRLNELEAQTRVKRDYTLRTFGEMADAFKSDYFNMP
VHMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDIKLSP
EEEEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWH
IEDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLL
HQLVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEA
VNFCTVDWLPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVAS
TVQKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTC
FMSAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALK
LRAE
3D structure
PDB5a3t Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
ChainA
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) G481 Y488 H499 E501 H587 A599
Catalytic site (residue number reindexed from 1) G182 Y189 H200 E202 H288 A300
Enzyme Commision number 1.14.11.67: [histone H3]-trimethyl-L-lysine(4) 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 C692 C695 C715 H718 C393 C396 C416 H419
BS02 MMK A Y425 W486 Y488 F496 H499 E501 K517 W519 H587 V600 N601 Y128 W187 Y189 F197 H200 E202 K218 W220 H288 V301 N302 MOAD: Ki=0.001uM
PDBbind-CN: -logKd/Ki=8.40,IC50=0.004uM
BS03 MN A H499 E501 H587 H200 E202 H288
External links
PDB RCSB:5a3t, PDBe:5a3t, PDBj:5a3t
PDBsum5a3t
PubMed27214403
UniProtQ9UGL1|KDM5B_HUMAN Lysine-specific demethylase 5B (Gene Name=KDM5B)

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