Structure of PDB 6bgv Chain A

Receptor sequence
>6bgvA (length=309) Species: 9606 (Homo sapiens) [Search protein sequence]
AEFVPPPECPVFEPSWEEFTDPLSFIGRIRPLAEKTGICKIRPPKDWQPP
FACEVKSFRFTPRVQRLNELEAMTPREAFGFEQAVREYTLQSFGEMADNF
KSDYFNMPVHMVPTELVEKEFWRLVSSIEEDVIVEYGADISSKDFGSGFP
VKDGRRKILPEEEEYALSGWNLNNMPVLEQSVLAHINKVPWLYVGMCFSS
FCWHIEDHWSYSINYLHWGEPKTWYGVPSHAAEQLEEVMRELAPELFESQ
PDLLHQLVTIMNPNVLMEHGVPVYRTNQCAGEFVVTFPRAYHSGFNQGYN
FAEAVNFCT
3D structure
PDB6bgv Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
ChainA
Resolution1.592 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y472 H483 E485 H571 A583
Catalytic site (residue number reindexed from 1) Y193 H204 E206 H292 A304
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 DQG A Y409 D412 W470 Y472 F480 C481 H483 K501 W503 H571 Y136 D139 W191 Y193 F201 C202 H204 K222 W224 H292 MOAD: Kd=0.18uM
PDBbind-CN: -logKd/Ki=6.74,Kd=0.18uM
BindingDB: Kd=60nM,IC50=590nM
BS02 MN A H483 E485 H571 H204 E206 H292
External links
PDB RCSB:6bgv, PDBe:6bgv, PDBj:6bgv
PDBsum6bgv
PubMed29537847
UniProtP29375|KDM5A_HUMAN Lysine-specific demethylase 5A (Gene Name=KDM5A)

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