Structure of PDB 7c5q Chain O Binding Site BS02

Receptor Information
>7c5q Chain O (length=334) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSKVGINGFGRIGRLVLRRLLEVKSNIDVVAINDLTSPKILAYLLKHDS
NYGPFPWSVDFTEDSLIVDGKSIAVYAEKEAKNIPWKAKGAEIIVECTGF
YTSAEKSQAHLDAGAKKVLISAPAGEMKTIVYNVNDDTLDGNDTIVSVAS
CTTNCLAPMAKALHDSFGIEVGTMTTIAAYTGTQSLVDGPRGKDLRASRA
AAENIIPHTTGAAKAIGLVIPELSGKLKGHAQRVPVKTGSVTELVSILGK
KVTAEEVNNALKQATTNNESFGYTDEEIVSSDIIGSHFGSVFDATQTEIT
AVGDLQLVKTVAWYDNEYGFVTQLIRTLEKFAKL
Ligand information
Ligand IDG3H
InChIInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyLXJXRIRHZLFYRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
ACDLabs 12.01O=P(OCC(O)C=O)(O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
FormulaC3 H7 O6 P
NameGLYCERALDEHYDE-3-PHOSPHATE
ChEMBLCHEMBL1232918
DrugBankDB02263
ZINCZINC000003869936
PDB chain7c5q Chain O Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c5q Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Resolution2.13 Å
Binding residue
(original residue number in PDB)		T180 T182 H207 R232
Binding residue
(residue number reindexed from 1)		T181 T183 H208 R233
Annotation score5
Enzymatic activity
Enzyme Commision number 1.2.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide 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:0042802 identical protein binding
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006006 glucose metabolic process
Cellular Component
GO:0005737 cytoplasm

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Cellular Component
External links
PDB RCSB:7c5q, PDBe:7c5q, PDBj:7c5q
PDBsum7c5q
PubMed34827563
UniProtA0A140NCK4

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