Structure of PDB 4ybo Chain B Binding Site BS01

Receptor Information
>4ybo Chain B (length=381) Species: 273075 (Thermoplasma acidophilum DSM 1728) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEISKGLEDVNIKWTRLTTIDGNKGILRYGGYSVEDIIASGAQDEEIQYL
FLYGNLPTEQELRKYKETVQKGYKIPDFVINAIRQLPRESDAVAMQMAAV
AAMAASETKFKWNKDTDRDVAAEMIGRMSAITVNVYRHIMNMPAELPKPS
DSYAESFLNAAFGRKATKEEIDAMNTALILYTDHEVPASTTAGLVAVSTL
SDMYSGITAALAALKGPLHGGAAEAAIAQFDEIKDPAMVEKWFNDNIING
KKRLMGFGHRVYKTYDPRAKIFKGIAEKLSSKKPEVHKVYEIATKLEDFG
IKAFGSKGIYPNTDYFSGIVYMSIGFPLRNNIYTALFALSRVTGWQAHFI
EYVEEQQRLIRPRAVYVGPAERKYVPIAERK
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain4ybo Chain B Residue 400 [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]
PDB4ybo An active site-tail interaction in the structure of hexahistidine-tagged Thermoplasma acidophilum citrate synthase.
Resolution2.179 Å
Binding residue
(original residue number in PDB)		K286 E288 V289
Binding residue
(residue number reindexed from 1)		K283 E285 V286
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ybo, PDBe:4ybo, PDBj:4ybo
PDBsum4ybo
PubMed26457521
UniProtP21553|CISY_THEAC Citrate synthase (Gene Name=gltA)

[Back to BioLiP]