Structure of PDB 2ypi Chain A Binding Site BS01

Receptor Information
>2ypi 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
SLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSY
FHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVL
EEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAA
SELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN
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 chain2ypi 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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PDB2ypi Crystallographic analysis of the complex between triosephosphate isomerase and 2-phosphoglycolate at 2.5-A resolution: implications for catalysis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N10 K12 H95 E165 I170 G171 S211 G232
Binding residue
(residue number reindexed from 1)		N9 K11 H94 E164 I169 G170 S210 G231
Annotation score2
Binding affinityMOAD: Ki=15uM
PDBbind-CN: -logKd/Ki=4.82,Ki=15uM
Enzymatic activity
Catalytic site (original residue number in PDB) N10 K12 H95 E97 E165 G171 S211
Catalytic site (residue number reindexed from 1) N9 K11 H94 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:2ypi, PDBe:2ypi, PDBj:2ypi
PDBsum2ypi
PubMed2204418
UniProtP00942|TPIS_YEAST Triosephosphate isomerase (Gene Name=TPI1)

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