Structure of PDB 3pym Chain B Binding Site BS02

Receptor Information
>3pym Chain B (length=331) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRVAINGFGRIGRLVMRIALSRPNVEVVALNDPFITNDYAAYMFKYDSTH
GRYAGEVSHDDKHIIVDGKKIATYQERDPANLPWGSSNVDIAIDSTGVFK
ELDTAQKHIDAGAKKVVITAPSSTAPMFVMGVNEEKYTSDLKIVSNASCT
TNCLAPLAKVINDAFGIEEGLMTTVHSLTATQKTVDGPSHKDWRGGRTAS
GNIIPSSTGAAKAVGKVLPELQGKLTGMAFRVPTVDVSVVDLTVKLNKET
TYDEIKKVVKAAAEGKLKGVLGYTEDAVVSSDFLGDSHSSIFDASAGIQL
SPKFVKLVSWYDNEYGYSTRVVDLVEHVAKA
Ligand information
Ligand IDMRY
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKeyUNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)O
ACDLabs 10.04OCC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CO
FormulaC4 H10 O4
NameMESO-ERYTHRITOL
ChEMBLCHEMBL349605
DrugBankDB04481
ZINCZINC000017971067
PDB chain3pym Chain B Residue 334 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pym ?
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A42 Y43 V58
Binding residue
(residue number reindexed from 1)		A41 Y42 V57
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C150 H177
Catalytic site (residue number reindexed from 1) C149 H176
Enzyme Commision number 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003729 mRNA binding
GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0020037 heme binding
GO:0050661 NADP binding
GO:0051287 NAD binding
GO:1904408 melatonin binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0006915 apoptotic process
GO:0015886 heme transport
GO:0072593 reactive oxygen species metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005811 lipid droplet
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009277 fungal-type cell wall
GO:0030312 external encapsulating structure

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3pym, PDBe:3pym, PDBj:3pym
PDBsum3pym
PubMed
UniProtP00359|G3P3_YEAST Glyceraldehyde-3-phosphate dehydrogenase 3 (Gene Name=TDH3)

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