Structure of PDB 1xpo Chain D Binding Site BS03

Receptor Information
>1xpo Chain D (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 IDBCM
InChIInChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1
InChIKeyWOUDXEYYJPOSNE-VKZDFBPFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2NC1(OCCC(=C)\C2(O)NC1=O)C(O)C(O)(C)CO
CACTVS 3.341C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2
OpenEye OEToolkits 1.5.0C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O
CACTVS 3.341C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2
OpenEye OEToolkits 1.5.0CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O
FormulaC12 H18 N2 O7
NameBICYCLOMYCIN
ChEMBLCHEMBL1231250
DrugBank
ZINCZINC000001481737
PDB chain1xpo Chain D Residue 4701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xpo Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Resolution3.15 Å
Binding residue
(original residue number in PDB)		P180 K184 D210 E211 D265 S266 L320
Binding residue
(residue number reindexed from 1)		P174 K178 D204 E205 D259 S260 L311
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:1xpo, PDBe:1xpo, PDBj:1xpo
PDBsum1xpo
PubMed15642265
UniProtP0AG30|RHO_ECOLI Transcription termination factor Rho (Gene Name=rho)

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