Structure of PDB 4n41 Chain B Binding Site BS03

Receptor Information
>4n41 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]
GKTEVFLNRFALRPLNPEELRPWRLEVVLDPPPGREEVYPLLAQVARRAG
GVTVRMGDGLASWSPPEVLVLEGTLARMGQTYAYRLYPKGRRPLDPKDPG
ERSVLSALARRLLQERLRRLEGVWVEGLAVYRREHARGPGWRVLGGAVLD
LWVSDSGAFLLEVDPAYRILCEMSLEAWLAQGHPLPKRVRNAYDRRTWEL
LRLGEEDPKELPLPGGLSLLDYHASKGRLQGREGGRVAWVADPKDPRKPI
PHLTGLLVPVLTLEDLHSLALSLPWEERRRRTREIASWIGRRLGLGTPEA
VRAQAYRLSIPKLMGRRAVSKPADALRVGFYRAQETALALLRLDGAQGWP
EFLRRALLRAFGASGASLRLHTLHAHPSQGLAFREALRKAKEEGVQAVLV
LTPPMAWEDRNRLKALLLREGLPSQILNVPLREEERHRWENALLGLLAKA
GLQVVALSGAYPAELAVGFDAGGRESFRFGGAACAVHLLWTLPEAQAGER
IPQEVVWDLLEETLWAFRRKAGRLPSRVLLLRDGRVPQDEFALALEALAR
EGIAYDLVSVRKSGGGRVYPVQGRLADGLYVPLEDKTFLLLTVHRDFRGT
PRPLKLVHEAGDTPLEALAHQIFHLTRLYPASGFAFPRLPAPLHLADRLV
KEVGRLGIVDREKLFFV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4n41 Chain B Residue 701 [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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PDB4n41 Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Resolution2.248 Å
Binding residue
(original residue number in PDB)		D478 D660
Binding residue
(residue number reindexed from 1)		D470 D647
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
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Biological Process
External links
PDB RCSB:4n41, PDBe:4n41, PDBj:4n41
PDBsum4n41
PubMed24374628
UniProtQ746M7|AGO_THET2 Protein argonaute (Gene Name=ago)

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