Structure of PDB 1ag1 Chain T Binding Site BS01
Receptor Information
>1ag1 Chain T (length=249) Species:
5691
(Trypanosoma brucei) [
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SKPQPIAAANWKCNGSQQSLSELIDLFNSTSINHDVQCVVASTFVHLAMT
KERLSHPKFVIAAQNAIAKSGAFTGEVSLPILKDFGVNWIVLGHSERRAY
YGETNEIVADKVAAAVASGFMVIACIGETLQERESGRTAVVVLTQIAAIA
KKLKKADWAKVVIAYEPVWAIGTGKVATPQQAQEAHALIRSWVSSKIGAD
VAGELRILYGGSVNGKNARTLYQQRDVNGFLVGGASLKPEFVDIIKATQ
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
CACTVS 3.341
[O-][P]([O-])([O-])=O
ACDLabs 10.04
[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0
[O-]P(=O)([O-])[O-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
1ag1 Chain T Residue 600 [
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Receptor-Ligand Complex Structure
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PDB
1ag1
Anion binding at the active site of trypanosomal triosephosphate isomerase. Monohydrogen phosphate does not mimic sulphate.
Resolution
2.36 Å
Binding residue
(original residue number in PDB)
G173 S213 G234
Binding residue
(residue number reindexed from 1)
G172 S212 G233
Annotation score
1
Enzymatic activity
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
GO:0020015
glycosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1ag1
,
PDBe:1ag1
,
PDBj:1ag1
PDBsum
1ag1
PubMed
2040290
UniProt
P04789
|TPIS_TRYBB Triosephosphate isomerase, glycosomal
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