Structure of PDB 3tal Chain B Binding Site BS01

Receptor Information
>3tal Chain B (length=421) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKQSIERITKILLDELENVRENEQIRNIINSWKPLPSPEKSSIYAVDGSR
SVSRLSGTVIYFLSALAVGSGKQLRLSYANAIKSNYGTSDQIVRMQMETL
ENMLGYLAYRKLEGEKRAILMDGTLTGSLVRPPVYPEDIRSLNVMRALIG
ESDFENLLNEFLEKLRDHYRKVEEHLEKNGNYDSPILTDNVVEKLRKKYI
DTKVKVKVKIPRKALGYSPRVIPIEVLESSRGKSVDELLQELDEEKVELY
LGKDDIYDALHMTLSYIEYLYSIDKLLEVKNLAYIAKSFYTKTLARVEIV
DTALLDAVIRTLIKEGYLEIEHAVVPPKWSFPDFLLSKFRNIEKLIDKGI
HLAYVRFEQGDVIYMLQSTTNIEKILPLILHHKALRPLQLAHHGVKISYK
EARHTLEALINALRNRDPALK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3tal Chain B Residue 452 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tal Crystal structure of the NurA-dAMP-Mn2+ complex
Resolution3.15 Å
Binding residue
(original residue number in PDB)		D51 D126
Binding residue
(residue number reindexed from 1)		D47 D122
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity
GO:0004527 exonuclease activity
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:3tal, PDBe:3tal, PDBj:3tal
PDBsum3tal
PubMed22064858
UniProtQ8U1N8|NURA_PYRFU DNA double-strand break repair nuclease NurA (Gene Name=nurA)

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