Structure of PDB 5aip Chain A Binding Site BS01

Receptor Information
>5aip Chain A (length=141) Species: 491 (Neisseria meningitidis serogroup B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPTQSKHASINIGLIQAREALMTQFRPILNQANITDQQWRIIRLLAENGT
LDFQDLANQACILRPSLTGILTRLEKAGLVVRLKPSNDQRRVFLKLTAEG
EKLYEEIGEEVDERYDAIEEVLGREKMLLLKDLLAELAKIE
Ligand information
Ligand ID4HP
InChIInChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyXQXPVVBIMDBYFF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)O)O
ACDLabs 10.04O=C(O)Cc1ccc(O)cc1
FormulaC8 H8 O3
Name4-HYDROXYPHENYLACETATE
ChEMBLCHEMBL1772
DrugBank
ZINCZINC000000213065
PDB chain5aip Chain B Residue 1146 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5aip Molecular Basis of Ligand-Dependent Regulation of Nadr, the Transcriptional Repressor of Meningococcal Virulence Factor Nada.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S9 N11
Binding residue
(residue number reindexed from 1)		S9 N11
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.82,Kd=1.5mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006950 response to stress
GO:0045892 negative regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:5aip, PDBe:5aip, PDBj:5aip
PDBsum5aip
PubMed27105075
UniProtQ7DD70

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