Structure of PDB 1n8f Chain A Binding Site BS02

Receptor Information
>1n8f Chain A (length=343) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRIKEIKELLPPVALLQKFPATENAANTVAHARKAIHKILKGNDDRLLVV
IGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTVGWKGL
INDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQYLADLM
SWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINAAGAPH
CFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEGLNKAG
LPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVESHLVE
GNQSLESGEPLAYGKSITDACIGWEDTDALLRQLANAVKARRG
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 chain1n8f Chain A Residue 1396 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n8f The High-Resolution Structure of 3-Deoxy-D-arabino-heptulosonate-7-phosphate Synthase Reveals a Twist in the Plane of Bound Phosphoenolpyruvate
Resolution1.75 Å
Binding residue
(original residue number in PDB)		R92 P98 G163 K186 R234 H268
Binding residue
(residue number reindexed from 1)		R85 P91 G156 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:1n8f, PDBe:1n8f, PDBj:1n8f
PDBsum1n8f
PubMed12667068
UniProtP0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)

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