Structure of PDB 4pai Chain A Binding Site BS01

Receptor Information
>4pai Chain A (length=308) Species: 246200 (Ruegeria pomeroyi DSS-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEFRLGLITPSPHTWTKAAEAFGAELSEKSGGAHSVSVFPARQLGNEAQM
LQQLQTGALDMAFMTVAEVSNRVPNMGAFYAPYLAGDINHAAAILRSDTA
RGMLAVLPQEAGVVGVGFGSAGMRQILSRGAVNSAADLSGLKLRITPFDP
ILDFYNALGAAPTPMPLPAVYDALANGQVDAIDMDVELINVLKCHEHADT
ILISNHMMFPMVGLISARVYAGMSDADKAMISELMAKHVDSTLDVYMVKE
PEWTDALTKVGKTFKRVDQSFFGDAIAQWETIWADKAPSLPELRKTAADL
QAENLYFQ
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 chain4pai Chain A Residue 401 [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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PDB4pai Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H39 R150 R170 T172 D211 L214 F235
Binding residue
(residue number reindexed from 1)		H13 R124 R144 T146 D185 L188 F209
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport

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Biological Process
External links
PDB RCSB:4pai, PDBe:4pai, PDBj:4pai
PDBsum4pai
PubMed25540822
UniProtQ5LSJ5|DCTP_RUEPO Solute-binding protein SPO1773 (Gene Name=dctP)

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