Structure of PDB 5tde Chain B Binding Site BS01

Receptor Information
>5tde Chain B (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKSTTLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGD
HKQKFYWGHKEILIPVFKNMADAMRKHPEVDVLINFASLRSAYDSTMETM
NYAQIRTIAIIAEGIPEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKI
GNTGGMLDNILASKLYRPGSVAYVSRSGGMSNELNNIISRTTDGVYEGVA
IGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIGGTEEYKICRGIKEGRL
TKPIVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALKEAGVFV
PRSFDELGEIIQSVYEDLVANGVI
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)		S663 G664 G665 H760
Binding residue
(residue number reindexed from 1)		S177 G178 G179 H274
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E718 H760
Catalytic site (residue number reindexed from 1) E232 H274
Enzyme Commision number 2.3.3.8: ATP citrate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
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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