Structure of PDB 5wic Chain B Binding Site BS02

Receptor Information
>5wic Chain B (length=142) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDQTSYGDEIDKFWLTQYVIHRESYDFYSVQVDYTAVGLMSTPNVAESYQ
SKFKGRNGLDKVLGDSETTRVKINSVILDKPHGVATIRFTTVRRVRSNPV
DDQPQRWIAIMGYEYKSLAMNAEQRYVNPLGFRVTSYRVNPE
Ligand information
Ligand IDFOA
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1occc1
OpenEye OEToolkits 1.5.0c1cc(oc1)C(=O)O
CACTVS 3.341OC(=O)c1occc1
FormulaC5 H4 O3
Name2-FUROIC ACID
ChEMBLCHEMBL1232797
DrugBank
ZINCZINC000000158555
PDB chain5wic Chain B Residue 302 [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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PDB5wic Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R110 S112 Y137 K140
Binding residue
(residue number reindexed from 1)		R22 S24 Y49 K52
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.64,Kd=23uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:5wic, PDBe:5wic, PDBj:5wic
PDBsum5wic
PubMed29097752
UniProtQ17U16

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