Structure of PDB 1xpo Chain C Binding Site BS04

Receptor Information
>1xpo Chain C (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)		K336 G337
Binding residue
(residue number reindexed from 1)		K327 G328
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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