Structure of PDB 4n76 Chain B Binding Site BS05

Receptor Information
>4n76 Chain B (length=667) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLGKTEVFLNRFALRPLNPEELRPWRLEVVLDPPPGRVYPLLAQVARRAG
GVTVRMGDGLASWSPPEVLVLEGTLARQTYAYRLYPKGRRPLDPKDPGER
SVLSALARRLLQERLRRLEGVWVEGLAVYRREHARGPGWRVLGGAVLDLW
VSDSGAFLLEVDPAYRILCEMSLEAWLAQGHPLPKRVRNAYDRRTWELLR
LEDPKELPLPGGLSLLDYHASKGRLQGREGGRVAWVARKPIPHLTGLLVP
VLTLEDLSLALSLPWEERRRRTREIASWIGRRLGLGTPEAVRAQAYRLSI
PKLMGRRAVSKPADALRVGFYRAQETALALLRLDGAQGWPEFLRRALLRA
FGASGASLRLHTLHAHPSQGLAFREALRKAKEEGVQAVLVLTPPMAWEDR
NRLKALLLREGLPSQILNVPLREEERHRWENALLGLLAKAGLQVVALSGA
YPAELAVGFDAGGRESFRFGGAACAVGGDGGHLLWTLPEAQAGERIPQEV
VWDLLEETLWAFRRKAGRLPSRVLLLRDGRVPQDEFALALEALAREGIAY
DLVSVRKSGGGRVYPVQGRLADGLYVPLEDKTFLLLTVHRDFRGTPRPLK
LVHEAGDTPLEALAHQIFHLTRLYPASGFAFPRLPAPLHLADRLVKEVGR
LGIRHLKEVDREKLFFV
Ligand information
Ligand IDDT
InChIInChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyGYOZYWVXFNDGLU-XLPZGREQSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
FormulaC10 H15 N2 O8 P
NameTHYMIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL394429
DrugBankDB01643
ZINCZINC000001678872
PDB chain4n76 Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4n76 Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		Y197 L217 P218 Y226 H227 R232 P255 H256
Binding residue
(residue number reindexed from 1)		Y191 L209 P210 Y218 H219 R224 P242 H243
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.24.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004520 DNA endonuclease activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0044355 clearance of foreign intracellular DNA

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4n76, PDBe:4n76, PDBj:4n76
PDBsum4n76
PubMed24374628
UniProtQ746M7|AGO_THET2 Protein argonaute (Gene Name=ago)

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