Structure of PDB 6hxj Chain B Binding Site BS03

Receptor Information
>6hxj Chain B (length=589) Species: 1092 (Chlorobium limicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SILANKDTRAVIIGGVAGVNAAKRMAQFDFLVNRPLTVQAFVYPPEAGQQ
KEIFRGGELKNVTVYDSLAPALEEHPDINTALIYLGASRAAQAAKEALES
PNIQLVSMITEGVPEKDAKRLKKLAQKLGKMLNGPSSIGIMSAGECRLGV
IGGEFKNLKLCNLYRQGSFGVLTKSGGLSNEAMWLCAQNGDGITSAVAIG
GDAYPGTDFVTYLEMFEKDPATKAVVMIGEVGGNLEEEAAEWLAAEPRRI
KLIAAIGGTCQEVLAGSARSKMNALRDAGAYVPDTFGGLSKEIKKVYEEL
IAAGEISTEIDEAVLPELPPRVQEVMKQGEVIVEPLIRTTISDDRGEEPR
YAGYAASELCSKGYGIEDVIGLLWNKKLPTREESEIIKRIVMISADHGPA
VSGAFGSILAACAGIDMPQAVSAGMTMIGPRFGGAVTNAGKYFKMAVEDY
PNDIPGFLSWMKKNVGPVPGIGHRVKSVKNPDQRVKYLVSYIKNETSLHT
PCLDYALEVEKVTTAKKGNLILNVDGTIGCILMDLDFPVHSLNGFFVLAR
TIGMIGHWIDQNNQNSRLIRLYDYLINYAVKPEQEVPEK
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 B Residue 1003 [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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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)		H415 V419 F450 G451 H491 R502 R568
Binding residue
(residue number reindexed from 1)		H397 V401 F432 G433 H473 R484 R550
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.3.16: citrate synthase (unknown stereospecificity).
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: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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6hxj, PDBe:6hxj, PDBj:6hxj
PDBsum6hxj
PubMed30944476
UniProtQ9AJC4

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