Structure of PDB 3thn Chain A Binding Site BS01

Receptor Information
>3thn Chain A (length=313) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKILHTSDWHLGVTSWTSSRPVDRREELKKALDKVVEEAEKREVDLILLT
GDLLHSRNNPSVVALHDLLDYLKRMMRTAPVVVLPGNQDWKGLKLFGNFV
TSISSDITFVMSFEPVDVEAKRGQKVRILPFPYPDESEALRKNEGDFRFF
LESRLNKLYEEALKKEDFAIFMGHFTVEGLAGYAGREIIINRALIPSVVD
YAALGHIHSFREIQKQPLTIYPGSLIRIDFGEEADEKGAVFVELKRGEPP
RYERIDASPLPLKTLYYKKIDTSALKSIRDSCRNFPGYVRVVYEEDSLPD
LMGEIDNLVKIER
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 chain3thn Chain A Residue 360 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3thn ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Resolution2.811 Å
Binding residue
(original residue number in PDB)		D14 H16 D58 H216 H218
Binding residue
(residue number reindexed from 1)		D8 H10 D52 H206 H208
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity
GO:0008408 3'-5' exonuclease activity
GO:0016787 hydrolase activity
Biological Process
GO:0006259 DNA metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3thn, PDBe:3thn, PDBj:3thn
PDBsum3thn
PubMed21937514
UniProtQ9X1X0|MRE11_THEMA DNA double-strand break repair protein Mre11 (Gene Name=mre11)

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