Structure of PDB 5tde Chain A Binding Site BS03

Receptor Information
>5tde Chain A (length=420) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAKAISEQTGKELLYKFICTTSAIQNRFKYARVTPDTDWARLLQDHPWLL
SQNLVVKPDQLIKRRGKLGLVGVNLTLDGVKSWLKPRLGQEATVGKATGF
LKNFLIEPFVPHSQAEEFYVCIYATREGDYVLFHHEKAQKLLVGVDEKLN
PEDIKKHLLVHAPEDKKEILASFISGLFNFYEDLYFTYLEINPLVVTKDG
VYVLDLAAKVDATADYICKVKWGDIEFPPPFGREAYPEEAYIADLDAKSG
ASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNELANYGEYSGAP
SEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRAI
RDYQGPLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHM
TAIVGMALGHRPIPENLYFQ
Ligand information
Ligand ID2HP
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0OP(=O)(O)[O-]
ACDLabs 10.04[O-]P(=O)(O)O
CACTVS 3.341O[P](O)([O-])=O
FormulaH2 O4 P
NameDIHYDROGENPHOSPHATE ION
ChEMBL
DrugBankDB02831
ZINC
PDB chain5tde Chain B Residue 901 [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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PDB5tde Binding of hydroxycitrate to human ATP-citrate lyase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G281 G282 G283
Binding residue
(residue number reindexed from 1)		G270 G271 G272
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:5tde, PDBe:5tde, PDBj:5tde
PDBsum5tde
PubMed28777081
UniProtP53396|ACLY_HUMAN ATP-citrate synthase (Gene Name=ACLY)

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