Structure of PDB 4hd0 Chain A Binding Site BS01

Receptor Information
>4hd0 Chain A (length=332) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFAHLADIHLGYEQFHKPQREEEFAEAFKNALEIAVQENVDFILIAGDL
FHSSRPSPGTLKKAIALLQIPKEHSIPVFAIEGNHDRTQRGPSVLNLLED
FGLVYVIGMRKEKVENEYLTSERLGNGEYLVKGVYKDLEIHGMKYMSSAW
FEANKEILKRLFRPTDNAILMLHQGVREVSEARGEDYFEIGLGDLPEGYL
YYARGHIHKRYETSYSGSPVVYPGSLERWDFGDYEVRYEWDGIKFKERYG
VNKGFYIVEDFKPRFVEIKVRPFIDVKIKGSEEEIRKAIKRLIPLIPKNA
YVRLNIGWRKPFDLTEIKELLNVEYLKIDTWR
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 chain4hd0 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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PDB4hd0 Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D49 N84 H173 H206
Binding residue
(residue number reindexed from 1)		D49 N84 H173 H206
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0000729 DNA double-strand break processing
GO:0006302 double-strand break repair

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Molecular Function
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Biological Process
External links
PDB RCSB:4hd0, PDBe:4hd0, PDBj:4hd0
PDBsum4hd0
PubMed23080121
UniProtQ8U1N9|MRE11_PYRFU DNA double-strand break repair protein Mre11 (Gene Name=mre11)

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