Structure of PDB 4tug Chain B Binding Site BS03

Receptor Information
>4tug Chain B (length=306) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMFVHIADNHLGYRQYNLDDREKDIYDSFKLCIKKILEIKPDVVLHSGDL
FNDLRPPVKALRIAMQAFKKLHENNIKVYIVAGNHEMPRRLGEESPLALL
KDYVKILDGKDVINVNGEEIFICGTYYHKKSKREEMLDKLKNFESEAKNY
KKKILMLHQGINPYIPLDYELEHFDLPKFSYYALGHIHKRILERFNDGIL
AYSGSTEIIYRNEYEDYKKEGKGFYLVDFSGNDLDISDIEKIDIECREFV
EVNIKDKKSFNEAVNKIERCKNKPVVFGKIKREFKPWFDTLKDKILINKA
IIVDDE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4tug Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tug DNA end recognition by the Mre11 nuclease dimer: insights into resection and repair of damaged DNA.
Resolution3.55 Å
Binding residue
(original residue number in PDB)		D49 N84 H158 H186
Binding residue
(residue number reindexed from 1)		D49 N84 H158 H186
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0000403 Y-form DNA binding
GO:0003677 DNA binding
GO:0004519 endonuclease activity
GO:0004527 exonuclease activity
GO:0004529 DNA exonuclease activity
GO:0008408 3'-5' exonuclease activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0045027 DNA end binding
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006302 double-strand break repair

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Molecular Function
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Biological Process
External links
PDB RCSB:4tug, PDBe:4tug, PDBj:4tug
PDBsum4tug
PubMed25107472
UniProtQ58719|MRE11_METJA DNA double-strand break repair protein Mre11 (Gene Name=mre11)

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