Structure of PDB 2ifc Chain C Binding Site BS01

Receptor Information
>2ifc Chain C (length=382) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEEISKGLEDVNIKWTRLTTIDGNKGILRYGGYSVEDIIASGAQDEEIQY
LFLYGNLPTEQELRKYKETVQKGYKIPDFVINAIRQLPRESDAVAMQMAA
VAAMAASETKFKWNKDTDRDVAAEMIGRMSAITVNVYRHIMNMPAELPKP
SDSYAESFLNAAFGRKATKEEIDAMNTALILYTDHEVPASTTAGLVAVST
LSDMYSGITAALAALKGPLHGGAAEAAIAQFDEIKDPAMVEKWFNDNIIN
GKKRLMGFGHRVYKTYDPRAKIFKGIAEKLSSKKPEVHKVYEIATKLEDF
GIKAFGSKGIYPNTDYFSGIVYMSIGFPLRNNIYTALFALSRVTGWQAHF
IEYVEEQQRLIRPRAVYVGPAERKYVPIAERK
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 chain2ifc Chain C Residue 385 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2ifc To be anounced
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H187 P190 H262 R271 R344
Binding residue
(residue number reindexed from 1)		H185 P188 H260 R269 R342
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S192 H222 H262 R271 D317
Catalytic site (residue number reindexed from 1) S190 H220 H260 R269 D315
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ifc, PDBe:2ifc, PDBj:2ifc
PDBsum2ifc
PubMed
UniProtP21553|CISY_THEAC Citrate synthase (Gene Name=gltA)

[Back to BioLiP]