Structure of PDB 1tti Chain A Binding Site BS01

Receptor Information
>1tti Chain A (length=236) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKPQPIAAANWKSLSELIDLFNSTSINHDVQCVVASTFVHLAMTKERLSH
PKFVIAAQNAGNADGLASLKDFGVNWIVLGHSERRWYYGETNEIVADKVA
AAVASGFMVIACIGETLQERESGRTAVVVLTQIAAIAKKLKKADWAKVVI
AYEPVWAIGTGKVATPQQAQEAHALIRSWVSSKIGADVAGELRILYGGSV
NGKNARTLYQQRDVNGFLVGGASLKPEFVDIIKATQ
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 chain1tti 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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PDB1tti 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)		K13 H95 E167 I172 G173 S213 G234
Binding residue
(residue number reindexed from 1)		K12 H81 E153 I158 G159 S199 G220
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N11 K13 H95 E97 E167 G173 S213
Catalytic site (residue number reindexed from 1) N10 K12 H81 E83 E153 G159 S199
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:1tti, PDBe:1tti, PDBj:1tti
PDBsum1tti
PubMed8591044
UniProtP04789|TPIS_TRYBB Triosephosphate isomerase, glycosomal

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