Structure of PDB 3ypi Chain A Binding Site BS01

Receptor Information
>3ypi Chain A (length=247) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARTFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSV
SLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGQSERRSY
FHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVL
EEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAA
SELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN
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 chain3ypi Chain A Residue 249 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ypi Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K12 E165 I170 G171 S211 G232 G233
Binding residue
(residue number reindexed from 1)		K11 E164 I169 G170 S210 G231 G232
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N10 K12 Q95 E97 E165 G171 S211
Catalytic site (residue number reindexed from 1) N9 K11 Q94 E96 E164 G170 S210
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:0005739 mitochondrion
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ypi, PDBe:3ypi, PDBj:3ypi
PDBsum3ypi
PubMed2007138
UniProtP00942|TPIS_YEAST Triosephosphate isomerase (Gene Name=TPI1)

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