Structure of PDB 3tho Chain B Binding Site BS01

Receptor Information
>3tho Chain B (length=366) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKILHTSDWHLGVTSWTSSRPVDRREELKKALDKVVEEAEKREVDLILLT
GDLLHSRNNPSVVALHDLLDYLKRMMRTAPVVVLPGNQDWKGLKLFGNFV
TSISSDITFVMSFEPVDVEAKRGQKVRILPFPYPDESKNEGDFRFFLESR
LNKLYEEALKKEDFAIFMGHFTVEGLAGREIIINRALIPSVVDYAALGHI
HSFREIQKQPLTIYPGSLIRIDFGEEADEKGAVFVELKRGEPPRYERIDA
SPLPLKTLYYKKIDTSALKSIRDSCRNFPGYVRVVYEEDSGILPDLMGEI
DNLVKIERKSRREIEEVLRESPEEFKEELDKLDYFELFKEYLKKREENHE
KLLKILDELLDEVKKS
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 chain3tho Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tho ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Resolution2.6081 Å
Binding residue
(original residue number in PDB)		D14 H16 D58 H216 H218
Binding residue
(residue number reindexed from 1)		D8 H10 D52 H199 H201
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004519 endonuclease activity
GO:0004520 DNA endonuclease activity
GO:0004527 exonuclease activity
GO:0004529 DNA exonuclease activity
GO:0005515 protein binding
GO:0008408 3'-5' exonuclease activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006260 DNA replication
GO:0006281 DNA repair
GO:0006302 double-strand break repair
GO:0006310 DNA recombination

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Molecular Function
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Biological Process
External links
PDB RCSB:3tho, PDBe:3tho, PDBj:3tho
PDBsum3tho
PubMed21937514
UniProtQ9X1X0|MRE11_THEMA DNA double-strand break repair protein Mre11 (Gene Name=mre11)

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