Structure of PDB 3tho Chain B Binding Site BS02

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 2 [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)		D58 N93 H180 H216
Binding residue
(residue number reindexed from 1)		D52 N87 H170 H199
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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