Structure of PDB 6u1q Chain B Binding Site BS01

Receptor Information
>6u1q Chain B (length=203) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYFDEKLRELTAAVATIATSYLLAHVNQDQHVVMLTSCLPGEGKTTSSLN
LALSLAQMEKTLLIDCDLRKPAIAHRFGISGSQPGVTNLLNGTQSLEDCV
YHDEQSGLDILTAGVYASNPLELLSSSKFSELLADLRTRYQRIVIDTPPC
LAVSDSFMLAQYVDSVILVIDANHTRTPVVREVVGKLTQQGSRIDGVILN
RLN
Ligand information
Ligand IDPTR
InChIInChI=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
InChIKeyDCWXELXMIBXGTH-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
ACDLabs 10.04O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
FormulaC9 H12 N O6 P
NameO-PHOSPHOTYROSINE;
PHOSPHONOTYROSINE
ChEMBLCHEMBL286939
DrugBankDB01962
ZINCZINC000001530464
PDB chain6u1q Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6u1q A tyrosine phosphoregulatory system controls exopolysaccharide biosynthesis and biofilm formation in Vibrio cholerae.
Resolution2.87 Å
Binding residue
(original residue number in PDB)
G548 G550 K551 T552 T553 R583 L709
Binding residue
(residue number reindexed from 1)
G41 G43 K44 T45 T46 R76 L202
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0045226 extracellular polysaccharide biosynthetic process

View graph for
Biological Process
External links
PDB RCSB:6u1q, PDBe:6u1q, PDBj:6u1q
PDBsum6u1q
PubMed32841296
UniProtQ9KTG5

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