Structure of PDB 6u1q Chain A Binding Site BS01

Receptor Information

>6u1q Chain A (length=208) Species: 666 (Vibrio cholerae)

LDAKAYFDEKLRELTAAVATIATSYLLAHVNQDQHVVMLTSCLPGEGKTT
SSLNLALSLAQMEKTLLIDCDLRKPAIAHRFGISGSQPGVTNLLNGTQSL
EDCVYHDEQSGLDILTAGVYASNPLELLSSSKFSELLADLRTRYQRIVID
TPPCLAVSDSFMLAQYVDSVILVIDANHTRTPVVREVVGKLTQQGSRIDG
VILNRLNA

Ligand information

• Ligand ID: PTR
• InChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
• InChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
  CACTVS 3.341: N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
  ACDLabs 10.04: O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
• Formula: C9 H12 N O6 P
• Name: O-PHOSPHOTYROSINE;
  PHOSPHONOTYROSINE
• ChEMBL: CHEMBL286939
• DrugBank: DB01962
• ZINC: ZINC000001530464
• PDB chain: 6u1q Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6u1q A tyrosine phosphoregulatory system controls exopolysaccharide biosynthesis and biofilm formation in Vibrio cholerae.
• Resolution: 2.87 Å
• Binding residue (original residue number in PDB): R515 G548 G550 K551 T553 R583
• Binding residue (residue number reindexed from 1): R12 G45 G47 K48 T50 R80
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0045226 extracellular polysaccharide biosynthetic process

External links

• PDB: RCSB:6u1q, PDBe:6u1q, PDBj:6u1q
• PDBsum: 6u1q
• PubMed: 32841296
• UniProt: Q9KTG5