Structure of PDB 5uxm Chain A Binding Site BS02

Receptor Information
>5uxm 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 IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain5uxm Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uxm A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Resolution1.54 Å
Binding residue
(original residue number in PDB)		V93 K105 A177 L179 Q223 E226
Binding residue
(residue number reindexed from 1)		V90 K102 A174 L176 Q220 E223
Annotation score1
Binding affinityMOAD: Kd=3.6uM
PDBbind-CN: -logKd/Ki=5.44,Kd=3.6uM
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:5uxm, PDBe:5uxm, PDBj:5uxm
PDBsum5uxm
PubMed29608284
UniProtQ9I000

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