Structure of PDB 5uxn Chain A Binding Site BS05

Receptor Information
>5uxn Chain A (length=445) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWSPESWRAKPIQQQPEYPDAAHLARVEQTLAGYPPLVFAGEARELRRQF
AEVTAGRAFLLQGGDCAESFAEFSAAKIRDTFKVLLQMAVVMTFAAGCPV
VKVGRMAGQFAKPRSSGDETQNGVTLPAYRGDIVNGIGFDEKSRVPDPER
LLQAYHQSTASLNLLRAFAQGGFADLHQVHRWNLDFIANSALAERYQQLA
DRIDETLAFMRACGLDSAPQLRETSFFTAHEALLLNYEEALTRRDSLTGE
WYDCSAHMLWIGDRTRQIDGAHVEMLRGVGNPIGVKVGPSMDSEELIRLI
DILNPDNDPGRLNLIVRMGADKVGDHLPRLIQAIQREGRQVLWSSDPMHG
NTIKASSGYKTRDFARVLAEVRQFFEVHQAEGSYAGGIHIEMTGQNVTEC
IGGSRPITEDGLSDRYHTHCDPRLNADQSLELAFLIAETLKQVRR
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 chain5uxn Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uxn A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A177 L179 Q223 E226 T227
Binding residue
(residue number reindexed from 1)		A174 L176 Q220 E223 T224
Annotation score1
Binding affinityMOAD: Kd=23uM
PDBbind-CN: -logKd/Ki=4.64,Kd=23uM
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
Biological Process
GO:0009073 aromatic amino acid family biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5uxn, PDBe:5uxn, PDBj:5uxn
PDBsum5uxn
PubMed29608284
UniProtQ9I000

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