Structure of PDB 1if2 Chain A Binding Site BS01

Receptor Information
>1if2 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 ID129
InChIInChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)
InChIKeyNBAIGNUEKZLOMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341ON(CC[P](O)(O)=O)C=O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)N(C=O)O
ACDLabs 10.04O=P(O)(O)CCN(O)C=O
FormulaC3 H8 N O5 P
Name[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACID
ChEMBL
DrugBankDB03135
ZINC
PDB chain1if2 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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PDB1if2 Structural determinants for ligand binding and catalysis of triosephosphate isomerase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N11 K13 H95 E167 I172 G173 S213 L232 G234 G235
Binding residue
(residue number reindexed from 1)		N10 K12 H94 E166 I171 G172 S212 L231 G233 G234
Annotation score1
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 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:1if2, PDBe:1if2, PDBj:1if2
PDBsum1if2
PubMed11589711
UniProtP48499|TPIS_LEIME Triosephosphate isomerase

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