Structure of PDB 5tes Chain A Binding Site BS02

Receptor Information
>5tes Chain A (length=425) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAKAISEQTGKELLYKFICTTSAIQNRFKYARVTPDTDWARLLQDHPWLL
SQNLVVKPDQLIKRRGKLGLVGVNLTLDGVKSWLKPRLGQEATVGKATGF
LKNFLIEPFVPHSQAEEFYVCIYATREGDYVLFHHEGGVDVKAQKLLVGV
DEKLNPEDIKKHLLVHAPEDKKEILASFISGLFNFYEDLYFTYLEINPLV
VTKDGVYVLDLAAKVDATADYICKVKWGDIEFPPPFGREAYPEEAYIADL
DAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNELANYGE
YSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKG
IVRAIRDYQGPLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFG
TETHMTAIVGMALGHRPIPENLYFQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5tes Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5tes Binding of hydroxycitrate to human ATP-citrate lyase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N203 D216
Binding residue
(residue number reindexed from 1)		N197 D210
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.3.8: ATP citrate synthase.
Gene Ontology
Molecular Function
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer

View graph for
Molecular Function
External links
PDB RCSB:5tes, PDBe:5tes, PDBj:5tes
PDBsum5tes
PubMed28777081
UniProtP53396|ACLY_HUMAN ATP-citrate synthase (Gene Name=ACLY)

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