Structure of PDB 8s4b Chain B Binding Site BS01

Receptor Information
>8s4b Chain B (length=151) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEREQHHLIESIEKSTQYMAKRRIGALISVARDTGMDDYIETGIPLNAKI
SSQLLINIFIPNTPLHDGAVIIKGNEIASAASYLPLSDSPFLSKELGTRH
RAALGISEVTDSITIVVSEETGGISLTKGGELFRDVSEEELHKILLKELV
T
Ligand information
Ligand ID8G2
InChIInChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3/p+1
InChIKeyAQBJGAUQEJFPKZ-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)c1ccc(cc1)C[NH3+]
CACTVS 3.385COC(=O)c1ccc(C[NH3+])cc1
FormulaC9 H12 N O2
Name(4-methoxycarbonylphenyl)methylazanium
ChEMBL
DrugBank
ZINC
PDB chain8s4b Chain B Residue 201 [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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PDB8s4b CdaA-C08 complex
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H10 H146 L150
Binding residue
(residue number reindexed from 1)		H6 H142 L146
Annotation score1
External links
PDB RCSB:8s4b, PDBe:8s4b, PDBj:8s4b
PDBsum8s4b
PubMed
UniProtQ8Y5E4|DACA_LISMO Diadenylate cyclase (Gene Name=dacA)

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