Structure of PDB 2y61 Chain A Binding Site BS01

Receptor Information
>2y61 Chain A (length=249) Species: 5665 (Leishmania mexicana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKPQPIAAANWKCNGTTASIEKLVQVFNEHTISHDVQCVVAPTFVHIPLV
QAKLRNPKYVISAQNAIAKSGAFTGEVSMPILKDIGVHWVILGHSERRTY
YGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAIA
AKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGTD
VAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPEFRDIIDATR
Ligand information
Ligand ID1GP
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyAWUCVROLDVIAJX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H](COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)CO
CACTVS 3.341OC[CH](O)CO[P](O)(O)=O
CACTVS 3.341OC[C@H](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-1-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000003830895
PDB chain2y61 Chain A Residue 2250 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y61 High resolution crystal structures of triosephosphate isomerase complexed with its suicide inhibitors: the conformational flexibility of the catalytic glutamate in its closed, liganded active site.
Resolution0.99 Å
Binding residue
(original residue number in PDB)		K1013 H1095 E1167 I1172 G1173 G1212 S1213 L1232 G1234
Binding residue
(residue number reindexed from 1)		K12 H94 E166 I171 G172 G211 S212 L231 G233
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N1011 K1013 H1095 E1097 E1167 G1173 S1213
Catalytic site (residue number reindexed from 1) N10 K12 H94 E96 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
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:2y61, PDBe:2y61, PDBj:2y61
PDBsum2y61
PubMed21633986
UniProtP48499|TPIS_LEIME Triosephosphate isomerase

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