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BioLiP

Structure of PDB 8e0x Chain A Binding Site BS02

Receptor Information
>8e0x Chain A (length=344) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQNDDLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGNDD
RLLVVIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTV
GWKGLINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQY
LADLMSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINA
AGAPHCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEG
LNKAGLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVE
SHLVEGNQSLEPLAYGKSITDACIGWEDTDALLRQLANAVKARR
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain8e0x Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8e0x Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		R92 Y94 P98 E143 K186 R234 H268
Binding residue
(residue number reindexed from 1)		R90 Y92 P96 E141 K184 R232 H266
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
GO:0016740 transferase activity
GO:0042802 identical protein binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8e0x, PDBe:8e0x, PDBj:8e0x
PDBsum8e0x
PubMed36197914
UniProtP0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)

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