Structure of PDB 6hxo Chain B Binding Site BS01

Receptor Information
>6hxo Chain B (length=261) Species: 1092 (Chlorobium limicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMVEPLIRTTISDDRGEEPRYAGYAASELCSKGYGIEDVIGLLWNKKLP
TREESEIIKRIVMISADHGPAVSGAFGSILAACAGIDMPQAVSAGMTMIG
PRFGGAVTNAGKYFKMAVEDYPNDIPGFLSWMKKNVGPVPGIGHRVKSVK
NPDQRVKYLVSYIKNETSLHTPCLDYALEVEKVTTAKKGNLILNVDGTIG
CILMDLDFPVHSLNGFFVLARTIGMIGHWIDQNNQNSRLIRLYDYLINYA
VKPEQEVPEKK
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 chain6hxo Chain B Residue 1000 [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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PDB6hxo Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H415 V419 G451 H491 R502 R568
Binding residue
(residue number reindexed from 1)		H68 V72 G104 H144 R155 R221
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.3.16: citrate synthase (unknown stereospecificity).
Gene Ontology
Molecular Function
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer

View graph for
Molecular Function
External links
PDB RCSB:6hxo, PDBe:6hxo, PDBj:6hxo
PDBsum6hxo
PubMed30944476
UniProtQ9AJC4

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