Structure of PDB 5uxn Chain A Binding Site BS01

Receptor Information

>5uxn Chain A (length=445) Species: 208964 (Pseudomonas aeruginosa PAO1)

SWSPESWRAKPIQQQPEYPDAAHLARVEQTLAGYPPLVFAGEARELRRQF
AEVTAGRAFLLQGGDCAESFAEFSAAKIRDTFKVLLQMAVVMTFAAGCPV
VKVGRMAGQFAKPRSSGDETQNGVTLPAYRGDIVNGIGFDEKSRVPDPER
LLQAYHQSTASLNLLRAFAQGGFADLHQVHRWNLDFIANSALAERYQQLA
DRIDETLAFMRACGLDSAPQLRETSFFTAHEALLLNYEEALTRRDSLTGE
WYDCSAHMLWIGDRTRQIDGAHVEMLRGVGNPIGVKVGPSMDSEELIRLI
DILNPDNDPGRLNLIVRMGADKVGDHLPRLIQAIQREGRQVLWSSDPMHG
NTIKASSGYKTRDFARVLAEVRQFFEVHQAEGSYAGGIHIEMTGQNVTEC
IGGSRPITEDGLSDRYHTHCDPRLNADQSLELAFLIAETLKQVRR

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 5uxn Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5uxn A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D23 H26
• Binding residue (residue number reindexed from 1): D20 H23
• Annotation score: 1

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

External links

• PDB: RCSB:5uxn, PDBe:5uxn, PDBj:5uxn
• PDBsum: 5uxn
• PubMed: 29608284
• UniProt: Q9I000