Structure of PDB 7vqu Chain A

Receptor sequence

>7vquA (length=645) Species: 9606 (Homo sapiens)

SGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLW
LDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIK
PLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFR
KGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVP
KEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEK
HVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEADITAEF
LVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQI
LDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVAL
AEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLG
VLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLF
GHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCL
AILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQ
PITPPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGA

3D structure

• PDB: 7vqu Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
• Chain: A
• Resolution: 2.94 Å

Enzymatic activity

• Enzyme Commision number: 1.14.99.66: [histone-H3]-N(6),N(6)-dimethyl-L-lysine(4) FAD-dependent 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	7UQ	A	M332 V333 F538 K661 W695 Y761	M161 V162 F360 K483 W517 Y583
BS02	FAD	A	G285 G287 S289 E308 A309 R310 G315 R316 G330 A331 M332 V333 V590 L625 W751 W756 S760 Y761 G800 E801 A809 T810 V811 A814	G114 G116 S118 E137 A138 R139 G144 R145 G159 A160 M161 V162 V412 L447 W573 W578 S582 Y583 G613 E614 A622 T623 V624 A627

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0050660 flavin adenine dinucleotide binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:7vqu, PDBe:7vqu, PDBj:7vqu
• PDBsum: 7vqu
• PubMed: 35586426
• UniProt: O60341|KDM1A_HUMAN Lysine-specific histone demethylase 1A (Gene Name=KDM1A)