Structure of PDB 6asc Chain A Binding Site BS01

Receptor Information
>6asc Chain A (length=331) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IHHHHHHVINLKELKILHTSDWHLGVTSWTSSRPVDRREELKKALDKVVE
EAEKREVDLILLTGDLLHSRNNPSVVALHDLLDYLKRMMRTAPVVVLPGN
HDWKGLKLFGNFVTSISSDITFVMSFEPVDVEAKRGQKVRILPFPYPDES
EALRKNEGDFRFFLESRLNKLYEEALKKEDFAIFMGHFTVEGLAGYAGIE
QGREIIINRALIPSVVDYAALGHIHSFREIQKQPLTIYPGSLIRIDFGEE
ADEKGAVFVELKRGEPPRYERIDASPLPLKTLYYKKIDTSALKSIRDFCR
NFPGYVRVVYEEDSGILPDLMGEIDNLVKIE
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 chain6asc Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6asc Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D58 H180 H216
Binding residue
(residue number reindexed from 1)		D65 H187 H223
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:6asc, PDBe:6asc, PDBj:6asc
PDBsum6asc
PubMed29523233
UniProtQ9X1X0|MRE11_THEMA DNA double-strand break repair protein Mre11 (Gene Name=mre11)

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