Structure of PDB 6agm Chain A Binding Site BS01

Receptor Information
>6agm Chain A (length=334) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DALNNVHITDEQVLMTPEQLKAAFPLSLQQEAQIADSRKSISDIIAGRDP
RLLVVCGPCSIHDPETALEYARRFKALAAEVSDSLYLVMRVYFEKPRTTV
GWKGLINDPHMDGSFDVEAGLQIARKLLLELVNMGLPLATEALDPNSPQY
LGDLFSWSAIGARTTESQTHREMASGLSMPVGFKNGTDGSLATAINAMRA
AAQPHRFVGINQAGQVALLQTQGNPDGHVILRGGKAPNYSPADVAQCEKE
MEQAGLRPSLMVDCSHGNSNKDYRRQPAVAESVVAQIKDGNRSIIGLMIE
SNIHEGDACISWEMTDALLREIHQDLNGQLTARV
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain6agm Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6agm Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		P148 Q152 S181 F210 I213 L222
Binding residue
(residue number reindexed from 1)		P145 Q149 S178 F207 I210 L219
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6agm, PDBe:6agm, PDBj:6agm
PDBsum6agm
PubMed30946901
UniProtP00888|AROF_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive (Gene Name=aroF)

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