Structure of PDB 5g48 Chain A Binding Site BS01

Receptor Information
>5g48 Chain A (length=370) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKISVSKNDLENALRYLQAFLDKKDASSIASHIHLEVIKEKLFLKASDSD
IGLKSYIFTQSSDKEGVGTINGKKFLDIISCLKDSNIILETKDDSLAIKQ
NKSSFKLPMFDADEFPEFPVIDPKVSIEVNAPFLVDAFKKIAPVIEQTSH
KRELAGILMQFDQKHQTLSVVGTDTKRLSYTQLEKISIHSTEEDISCILP
KRALLEILKLFYENFSFKSDGMLAVIENEMHTFFTKLIDGNYPDYQKILP
KEYISSFTLGKEEFKESIKLCSSLSSTIKLTLEKNNALFESLDSEHSETA
KTSVEIEKGLDIEKAFHLGVNAKFFLEALNALGTTQFVLRCNEPSSPFLI
QESLDHLNAKISTLMMPITL
Ligand information
Ligand ID1FL
InChIInChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyHUPFGZXOMWLGNK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(ccc1O)c2ccc(F)cc2F
OpenEye OEToolkits 1.5.0c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O
ACDLabs 10.04O=C(O)c1cc(ccc1O)c2ccc(F)cc2F
FormulaC13 H8 F2 O3
Name5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID;
Diflunisal
ChEMBLCHEMBL898
DrugBankDB00861
ZINCZINC000000020243
PDB chain5g48 Chain A Residue 1375 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g48 Targeting the beta-clamp in Helicobacter pylori with FDA-approved drugs reveals micromolar inhibition by diflunisal.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		T173 T175 K176 R177 L178 I248 L368 M369 M370
Binding residue
(residue number reindexed from 1)		T173 T175 K176 R177 L178 I248 L364 M365 M366
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0005515 protein binding
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006260 DNA replication
GO:0006271 DNA strand elongation involved in DNA replication
GO:0071897 DNA biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0009360 DNA polymerase III complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5g48, PDBe:5g48, PDBj:5g48
PDBsum5g48
PubMed28656718
UniProtO25242|DPO3B_HELPY Beta sliding clamp (Gene Name=dnaN)

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