Structure of PDB 6ooi Chain B Binding Site BS01

Receptor Information
>6ooi Chain B (length=249) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRKFFVGGNWKMNGSRDDNDKLLKLLSEAHFDDNTEVLIAPPSVFLHEIR
KSLKKEIHVAAQNCYKVSKGAFTGEISPAMIRDIGCDWVILGHSERRNIF
GESDELIAEKVQHALAEGLSVIACIGETLSERESNKTEEVCVRQLKAIAN
KIKSADEWKRVVVAYEPVWAIGTGKVATPQQAQEVHNFLRKWFKTNAPNG
VDEKIRIIYGGSVTAANCKELAQQHDVDGFLVGGASLKPEFTEICKARQ
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain6ooi Chain B Residue 301 [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]
PDB6ooi Crystal structures of Triosephosphate Isomerases from Taenia solium and Schistosoma mansoni provide insights for vaccine rationale and drug design against helminth parasites.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		K14 H96 E169 I174 G214 S215 L234 G236 G237
Binding residue
(residue number reindexed from 1)		K11 H93 E166 I171 G211 S212 L231 G233 G234
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N12 K14 H96 E98 E169 G175 S215
Catalytic site (residue number reindexed from 1) N9 K11 H93 E95 E166 G172 S212
Enzyme Commision number 5.3.1.1: triose-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004807 triose-phosphate isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0019563 glycerol catabolic process
GO:0046166 glyceraldehyde-3-phosphate 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:6ooi, PDBe:6ooi, PDBj:6ooi
PDBsum6ooi
PubMed31923219
UniProtP48501|TPIS_SCHMA Triosephosphate isomerase (Gene Name=TPI)

[Back to BioLiP]