Structure of PDB 1qr7 Chain B Binding Site BS02

Receptor Information
>1qr7 Chain B (length=338) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGNDDRLLVV
IGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTVGWKGL
INDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQYLADLM
SWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINAAGAPH
CFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEGLNKAG
LPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVESHLVE
GNQSLLAYGKSITDACIGWEDTDALLRQLANAVKARRG
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 chain1qr7 Chain B Residue 2352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qr7 Crystal structure of phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R92 Y94 R165 K186 R234 H268
Binding residue
(residue number reindexed from 1)		R85 Y87 R158 K179 R227 H261
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:1qr7, PDBe:1qr7, PDBj:1qr7
PDBsum1qr7
PubMed10425687
UniProtP0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)

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