Structure of PDB 3abt Chain A

Receptor sequence
>3abtA (length=643) Species: 9606 (Homo sapiens) [Search protein sequence]
SGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLW
LDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIK
PLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFR
KGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVP
KEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEK
HVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEDITAEFL
VKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQIL
DWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALA
EGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGV
LKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFG
HVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLA
ILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQP
ITPPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLG
3D structure
PDB3abt Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
ChainA
Resolution3.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T335 D553 K661
Catalytic site (residue number reindexed from 1) T164 D374 K482
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 2PF A G285 G287 S289 L307 E308 A309 R310 G315 R316 G330 A331 M332 V333 V590 L625 P626 W751 W756 S760 Y761 G800 E801 A809 T810 V811 A814 G114 G116 S118 L136 E137 A138 R139 G144 R145 G159 A160 M161 V162 V411 L446 P447 W572 W577 S581 Y582 G612 E613 A621 T622 V623 A626 PDBbind-CN: -logKd/Ki=4.77,Ki=17uM
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3abt, PDBe:3abt, PDBj:3abt
PDBsum3abt
PubMed20568732
UniProtO60341|KDM1A_HUMAN Lysine-specific histone demethylase 1A (Gene Name=KDM1A)

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