Structure of PDB 1kfl Chain C Binding Site BS02

Receptor Information
>1kfl Chain C (length=350) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYQNDDLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGN
DDRLLVVIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRT
TVGWKGLINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITP
QYLADLMSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAI
NAAGAPHCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVK
EGLNKAGLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVM
VESHLVEGNQSLESGEPLAYGKSITDACIGWEDTDALLRQLANAVKARRG
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain1kfl Chain C Residue 3354 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kfl Allosteric inhibition of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase alters the coordination of both substrates.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		P150 Q151 A154 L179 S180 F209 S211 V221
Binding residue
(residue number reindexed from 1)		P150 Q151 A154 L179 S180 F209 S211 V221
Annotation score1
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:1kfl, PDBe:1kfl, PDBj:1kfl
PDBsum1kfl
PubMed12126632
UniProtP0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)

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