Structure of PDB 5uxn Chain A Binding Site BS04

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: PEP
• InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
• InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C=C(C(=O)O)OP(=O)(O)O
  CACTVS 3.341: OC(=O)C(=C)O[P](O)(O)=O
  ACDLabs 10.04: O=C(O)C(\OP(=O)(O)O)=C
• Formula: C3 H5 O6 P
• Name: PHOSPHOENOLPYRUVATE
• ChEMBL: CHEMBL1235228
• DrugBank: DB01819
• ZINC: ZINC000003870145
• PDB chain: 5uxn Chain A Residue 504

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): R108 G265 K289 R320 H352
• Binding residue (residue number reindexed from 1): R105 G262 K286 R317 H349
• Annotation score: 5

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