Structure of PDB 6hxj Chain A Binding Site BS01

Receptor Information
>6hxj Chain A (length=336) Species: 1092 (Chlorobium limicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKILEGPAMKLFNKWGIPVPNYVVILVVKAHIGQVIIAEMAEFYVSIIGN
KDGAELLISKHGGVDIEDNWDSVRRIQIELDENPTIEQLTELAKDAGFEG
EIAERVGKICSRLILCFDNEDAQSIEINPLVIRKSDMRFAALDAVMNVDY
DARFRHADWDFKPVSEIGRPFTEAEQQIMEIDSRIKGSVKFVEVPGGEIA
LLTAGGGASVFYADAVVARGGTIANYAEYSGDPADWAVEALTETICRLPN
IKHIIVGGAIANFTDVKATFSGIINGFRESKSKGYLEGVKIWVRRGGPNE
AQGLAAIKQLQEEGFDIHVYDRSMPMTDIVDLAMKS
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain6hxj Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hxj Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		S292 G293 A323 N324 F325 T326 R357
Binding residue
(residue number reindexed from 1)		S230 G231 A261 N262 F263 T264 R295
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003878 ATP citrate synthase activity
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0016829 lyase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0006085 acetyl-CoA biosynthetic process
GO:0006099 tricarboxylic acid cycle
GO:0006629 lipid metabolic process
GO:0006633 fatty acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hxj, PDBe:6hxj, PDBj:6hxj
PDBsum6hxj
PubMed30944476
UniProtQ9AQH6

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