Structure of PDB 5hpi Chain D Binding Site BS01

Receptor Information
>5hpi Chain D (length=170) Species: 62977 (Acinetobacter baylyi ADP1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHLPKVAQSFLNLLCAQTSLTFSIVVLDEHEVVPVARSYLPQQDNRVHLG
NRLPAHATSTGKVLLSVLDREVQIEWIEKYGLKRLTPYTITDEHTFLETL
DAVRQSDYCLSTEEHELGVIAIAVPVLNAQGLTIAALNCMSQTNRVQPQY
LIDQVLPLLRNTANELRNLV
Ligand information
Ligand ID3HB
InChIInChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyIJFXRHURBJZNAO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(O)ccc1
OpenEye OEToolkits 1.7.2c1cc(cc(c1)O)C(=O)O
CACTVS 3.370OC(=O)c1cccc(O)c1
FormulaC7 H6 O3
Name3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL65369
DrugBank
ZINCZINC000000388754
PDB chain5hpi Chain D Residue 301 [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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PDB5hpi A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor.
Resolution2.963 Å
Binding residue
(original residue number in PDB)		T159 S160 H216 V220 A222 M241
Binding residue
(residue number reindexed from 1)		T58 S59 H115 V119 A121 M140
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5hpi, PDBe:5hpi, PDBj:5hpi
PDBsum5hpi
PubMed27536006
UniProtQ43992|POBR_ACIAD p-hydroxybenzoate hydroxylase transcriptional activator (Gene Name=pobR)

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