Structure of PDB 1ttj Chain A Binding Site BS01

Receptor Information
>1ttj Chain A (length=235) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKPQPIAAANWSLSELIDLFNSTSINHDVQCVVASTSSHLAMTKERLSHP
KFVIAAQNAGNADALASLKDFGVNWIVLGHSERRAYYGETNEIVADKVAA
AVASGFMVIACIGETLQERESGRTAVVVLTQIAAIAKKLKKADWAKVVIA
YEPVWAIGTGKVATPQQAQEAHALIRSWVSSKIGADVAGELRILYGGSVN
GKNARTLYQQRDVNGFLVGGASLKPEFVDIIKATQ
Ligand information
Ligand IDPGH
InChIInChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKeyBAXHHWZKQZIJID-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(=O)NO
OpenEye OEToolkits 1.5.0C(C(=O)NO)OP(=O)(O)O
CACTVS 3.341ONC(=O)CO[P](O)(O)=O
FormulaC2 H6 N O6 P
NamePHOSPHOGLYCOLOHYDROXAMIC ACID
ChEMBLCHEMBL371668
DrugBankDB03026
ZINC
PDB chain1ttj Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ttj Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N11 H95 E167 I172 G173 G212 S213 G234
Binding residue
(residue number reindexed from 1)		N10 H80 E152 I157 G158 G197 S198 G219
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N11 H95 E97 E167 G173 S213
Catalytic site (residue number reindexed from 1) N10 H80 E82 E152 G158 S198
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:1ttj, PDBe:1ttj, PDBj:1ttj
PDBsum1ttj
PubMed8591044
UniProtP04789|TPIS_TRYBB Triosephosphate isomerase, glycosomal

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