Structure of PDB 6in7 Chain B Binding Site BS01

Receptor Information
>6in7 Chain B (length=174) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQDQQLVERVQRGDKRAFDLLVLKYQHKILGLIVRFVHDAQEAQDVAQEA
FIKAYRALGNFRGDSAFYTWLYRIAINTAKNHLVARGRRPFEGDHALKDI
ESPERAMLRDEIEATVHQTIQQLPEDLRTALTLREFEGLSYEDIATVMQC
PVGTVRSRIFRAREAIDKALQPLL
Ligand information
Ligand IDNCA
InChIInChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKeyDFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)N
CACTVS 3.341NC(=O)c1cccnc1
ACDLabs 10.04O=C(N)c1cccnc1
FormulaC6 H6 N2 O
NameNICOTINAMIDE
ChEMBLCHEMBL1140
DrugBankDB02701
ZINCZINC000000005878
PDB chain6in7 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6in7 Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		A44 E117 R121
Binding residue
(residue number reindexed from 1)		A40 E101 R105
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0001216 DNA-binding transcription activator activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0016987 sigma factor activity
Biological Process
GO:0006352 DNA-templated transcription initiation
GO:0006355 regulation of DNA-templated transcription
GO:0032885 regulation of polysaccharide biosynthetic process
GO:0036460 cellular response to cell envelope stress
GO:0042121 alginic acid biosynthetic process
GO:0045893 positive regulation of DNA-templated transcription
GO:0071236 cellular response to antibiotic
GO:1900036 positive regulation of cellular response to heat
GO:1900189 positive regulation of cell adhesion involved in single-species biofilm formation
GO:1900233 positive regulation of single-species biofilm formation on inanimate substrate
GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility
GO:1902884 positive regulation of response to oxidative stress
GO:2000142 regulation of DNA-templated transcription initiation
Cellular Component
GO:0000345 cytosolic DNA-directed RNA polymerase complex
GO:0032993 protein-DNA complex

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Biological Process
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Cellular Component
External links
PDB RCSB:6in7, PDBe:6in7, PDBj:6in7
PDBsum6in7
PubMed31297938
UniProtQ06198|RPSH_PSEAE RNA polymerase sigma-H factor (Gene Name=algU)

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