Structure of PDB 2r26 Chain B Binding Site BS01

Receptor Information
>2r26 Chain B (length=380) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEISKGLEDVNIKWTRLTTIDGNKGILRYGGYSVEDIIASGAQDEEIQYL
FLYGNLPTEQELRKYKETVQKGYKIPDFVINAIRQLPRESDAVAMQMAAV
AAMAASETKFKWNKDTDRDVAAEMIGRMSAITVNVYRHIMNMPAELPKPS
DSYAESFLNAAFGRKATKEEIDAMNTALILYTDHEVPASTTAGLVAVSTL
SDMYSGITAALAALKGPLHGGAAEAAIAQFDEIKDPAMVEKWFNDNIING
KKRLMGFGHRVYKTYDPRAKIFKGIAEKLSSKKPEVHKVYEIATKLEDFG
IKAFGSKGIYPNTDYFSGIVYMSIGFPLRNNIYTALFALSRVTGWQAHFI
EYVEEQQRLIRPRAVYVGPAERKYVPIAER
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain2r26 Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r26 The Structure of the Ternary Complex of Carboxymethyl Coenzyme A and Oxalateacetate with Citrate Synthase from the Thermophilic Archaeonthermoplasma Acidophilum
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H187 P190 H222 H262 R271 R344
Binding residue
(residue number reindexed from 1)		H184 P187 H219 H259 R268 R341
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S192 H222 H262 R271 D317
Catalytic site (residue number reindexed from 1) S189 H219 H259 R268 D314
Enzyme Commision number 2.3.3.16: citrate synthase (unknown stereospecificity).
Gene Ontology
Molecular Function
GO:0004108 citrate (Si)-synthase activity
GO:0016740 transferase activity
GO:0036440 citrate synthase activity
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006099 tricarboxylic acid cycle
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:2r26, PDBe:2r26, PDBj:2r26
PDBsum2r26
PubMed
UniProtP21553|CISY_THEAC Citrate synthase (Gene Name=gltA)

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