Structure of PDB 5iwa Chain M Binding Site BS02

Receptor Information
>5iwa Chain M (length=125) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARIAGVEIPRNKRVDVALTYIYGIGKARAKEALEKTGINPATRVKDLTEA
EVVRLREYVENTWKLEGELRAEVAANIKRLMDIGCYRGLRHRRGLPVRGQ
RTRTNARTRKGPRKTVAGKKKAPRK
Ligand information
Ligand ID6EK
InChIInChI=1S/C24H35ClN10O10/c25-22-29-7-13(34-22)17(38)16(21(42)43)35-19(40)11(4-9-6-30-23(26)31-9)32-18(39)12(5-10(36)8-45-24(27)44)33-20(41)15-14(37)2-1-3-28-15/h6-7,10-12,14-17,28,36-38H,1-5,8H2,(H2,27,44)(H,29,34)(H,32,39)(H,33,41)(H,35,40)(H,42,43)(H3,26,30,31)/t10-,11-,12-,14-,15-,16-,17+/m0/s1
InChIKeyUFNFLYFKIYFJJJ-PLHJXKGHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c([nH]c(n1)N)CC(C(=O)NC(C(c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)C(CC(COC(=O)N)O)NC(=O)C3C(CCCN3)O
OpenEye OEToolkits 2.0.4c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O
CACTVS 3.385NC(=O)OC[CH](O)C[CH](NC(=O)[CH]1NCCC[CH]1O)C(=O)N[CH](Cc2[nH]c(N)nc2)C(=O)N[CH]([CH](O)c3[nH]c(Cl)nc3)C(O)=O
CACTVS 3.385NC(=O)OC[C@@H](O)C[C@H](NC(=O)[C@H]1NCCC[C@@H]1O)C(=O)N[C@@H](Cc2[nH]c(N)nc2)C(=O)N[C@@H]([C@H](O)c3[nH]c(Cl)nc3)C(O)=O
ACDLabs 12.01C(=O)(C(Cc1nc(N)nc1)NC(C(NC(C2NCCCC2O)=O)CC(COC(N)=O)O)=O)NC(C(O)=O)C(O)c3cnc(n3)Cl
FormulaC24 H35 Cl N10 O10
Name
ChEMBL
DrugBank
ZINCZINC000584904856
PDB chain5iwa Chain M Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iwa Inhibition of translation initiation complex formation by GE81112 unravels a 16S rRNA structural switch involved in P-site decoding.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		R125 K126
Binding residue
(residue number reindexed from 1)		R124 K125
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0003735 structural constituent of ribosome
GO:0019843 rRNA binding
Biological Process
GO:0006412 translation
Cellular Component
GO:0005829 cytosol
GO:0005840 ribosome
GO:0015935 small ribosomal subunit
GO:1990904 ribonucleoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5iwa, PDBe:5iwa, PDBj:5iwa
PDBsum5iwa
PubMed27071098
UniProtP80377|RS13_THET8 Small ribosomal subunit protein uS13 (Gene Name=rpsM)

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