Structure of PDB 6qcl Chain B Binding Site BS01

Receptor Information
>6qcl Chain B (length=239) Species: 1092 (Chlorobium limicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPLIRTTISDDRGEEPRYAGYAASELCSKGYGIEDVIGLLWNKKLPTREE
SEIIKRIVMISADHGPAVSGAFGSILAACAGIDMPQAVSAGMTMIGPRFG
GAVTNAGKYFKMAVEDYPFLSWMKKNVGPVPGIGHRVKSPDQRVKYLVSY
IKNETSLHTPCLDYALEVELILNVDGTIGCILMDLDFPVHSLNGFFVLAR
TIGMIGHWIDQNNQNSRLIRLYDYLINYAVKPEQEVPEK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6qcl Chain B Residue 701 [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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PDB6qcl Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Q602 E603
Binding residue
(residue number reindexed from 1)		Q234 E235
Annotation score1
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:6qcl, PDBe:6qcl, PDBj:6qcl
PDBsum6qcl
PubMed30944476
UniProtQ9AJC4

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