Structure of PDB 1xpu Chain B Binding Site BS04

Receptor Information
>1xpu Chain B (length=408) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLTELKNTPVSELITLGENMGLENLARMRKQDIIFAILKQHAKSGEDIF
GDGVLEILQDGFGFLRSADSSYLAGPDDIYVSPSQIRRFNLRTGDTISGK
IRPPKEGERYFALLKVNEVNFDKPENNKILFENLTPLHANSRLRMGSTED
LTARVLDLASPIGRGQRGLIVAPPKAGKTMLLQNIAQSIAYNHPDCVLMV
LLIDERPEEVTEMQRLVKGEVVASTFDEPASRHVQVAEMVIEKAKRLVEH
KKDVIILLDSITRLARAYNTVVPAVLTGGVDANALHRPKRFFGAARNVEE
GGSLTIIATALIDTGSKMDEVIYEEFKGTGNMELHLSRKIAEKRVFPAID
YNRSGTRKEELLTTQEELQKMWILRKIIHPMGEIDAMEFLINKLAMTKTN
DDFFEMMK
Ligand information
Ligand IDFPD
InChIInChI=1S/C19H24N2O8S/c1-17(27,10-23)14(24)19-16(26)20-18(28,15(25)21-19)12(5-6-29-19)9-30-13-4-2-3-11(7-13)8-22/h2-4,7-8,12,14,23-24,27-28H,5-6,9-10H2,1H3,(H,20,26)(H,21,25)/t12-,14-,17-,18+,19-/m0/s1
InChIKeyLVFCJUVYCSPOOY-KRJMWWHISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O
CACTVS 3.341C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)[C@@H](CCO2)CSc3cccc(C=O)c3
OpenEye OEToolkits 1.5.0CC(CO)(C(C12C(=O)NC(C(CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O
CACTVS 3.341C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)[CH](CCO2)CSc3cccc(C=O)c3
ACDLabs 10.04O=Cc3cc(SCC1C2(O)NC(=O)C(OCC1)(NC2=O)C(O)C(O)(C)CO)ccc3
FormulaC19 H24 N2 O8 S
Name5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROBICYCLOMYCIN
ChEMBL
DrugBank
ZINCZINC000014979166
PDB chain1xpu Chain B Residue 2701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xpu Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Resolution3.05 Å
Binding residue
(original residue number in PDB)		P180 K181 K184 D210 E211 D265 S266 R269 L320 T323
Binding residue
(residue number reindexed from 1)		P174 K175 K178 D204 E205 D259 S260 R263 L311 T314
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008186 ATP-dependent activity, acting on RNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0006353 DNA-templated transcription termination
Cellular Component
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xpu, PDBe:1xpu, PDBj:1xpu
PDBsum1xpu
PubMed15642265
UniProtP0AG30|RHO_ECOLI Transcription termination factor Rho (Gene Name=rho)

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