Structure of PDB 1a3w Chain A Binding Site BS01

Receptor Information
>1a3w Chain A (length=492) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLERLTSLSDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGS
YEYHKSVIDNARKSEELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPN
HEMIFTTDDKYAKACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLE
VVDTLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVH
MVFASFIRTANDVLTIREVLGEQGKDVKIIVKIENQQGVNNFDEILKVTD
GVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNP
RPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQA
IAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTP
RLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEA
RINFGIEKAKEFGILKKGDTYVSIQGFKAGAGHSNTLQVSTV
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 chain1a3w Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a3w The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E242 A263 R264 G265 D266 T298
Binding residue
(residue number reindexed from 1)		E234 A255 R256 G257 D258 T290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R49 R91 K240 T298
Catalytic site (residue number reindexed from 1) R43 R85 K232 T290
Enzyme Commision number 2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004743 pyruvate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0030955 potassium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0032787 monocarboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1a3w, PDBe:1a3w, PDBj:1a3w
PDBsum1a3w
PubMed9519410
UniProtP00549|KPYK1_YEAST Pyruvate kinase 1 (Gene Name=CDC19)

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