Structure of PDB 8s49 Chain B Binding Site BS01

Receptor Information
>8s49 Chain B (length=155) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYGSRIEREQHHLIESIEKSTQYMAKRRIGALISVARDTGMDDYIETGIP
LNAKISSQLLINIFIPNTPLHDGAVIIKGNEIASAASYLPLSDSPFLSKE
LGTRHRAALGISEVTDSITIVVSEETGGISLTKGGELFRDVSEEELHKIL
LKELV
Ligand information
Ligand ID45Y
InChIInChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeyPFBNINAURUGQRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(ccc1CC(=O)NN)F
CACTVS 3.385NNC(=O)Cc1ccc(F)cc1
ACDLabs 12.01Fc1ccc(cc1)CC(=O)NN
FormulaC8 H9 F N2 O
Name2-(4-fluorophenyl)acetohydrazide
ChEMBL
DrugBank
ZINCZINC000003888145
PDB chain8s49 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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PDB8s49 CdaA-B06 complex
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H10 E14 E17 H146
Binding residue
(residue number reindexed from 1)		H11 E15 E18 H147
Annotation score1
External links
PDB RCSB:8s49, PDBe:8s49, PDBj:8s49
PDBsum8s49
PubMed
UniProtQ8Y5E4|DACA_LISMO Diadenylate cyclase (Gene Name=dacA)

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