Structure of PDB 6brg Chain C Binding Site BS01

Receptor Information
>6brg Chain C (length=500) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDLRTWEPEDVCSFLENRGFREKKVLDIFRDNKIAGSFLPFLDEDRLEDL
GVSSLEERKKMIECIQQLSQSRIDLMKVFNDPIHGHIEFHPLLIRIIDTP
QFQRLRYIKQLGGGYYVFPGASHNRFEHSLGVGYLAGCLVRALAEKQPEL
QISERDILCVQIAGLCHDLGHGPFSHMFDGRFIPRARPEKKWKHEQGSIE
MFEHLVNSNELKLVMKNYGLVPEEDITFIKEQIMGPLWPYKGRPATKSFL
YEIVSNKRNGIDVDKWDYFARDCHHLGIQNNFDYKRFIKFARICEVEYKV
YIRKVKHICSREKEVGNLYDMFHTRNCLHRRAYQHKISNLIDIMITDAFL
KADPYVEITGTAGKKFRISTAIDDMEAFTKLTDNIFLEVLHSTDPQLSEA
QSILRNIECRNLYKYLGETQPKREKIRKEEYERLPQEVAKAKPVELKAED
FIVDVINVDRVHFYEQLIRVYCKKKDGKSLDAAGKHFVQWCALRDFTKPQ
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 chain6brg Chain C Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6brg The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		H199 H238 D239 D343
Binding residue
(residue number reindexed from 1)		H128 H167 D168 D264
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003697 single-stranded DNA binding
GO:0003723 RNA binding
GO:0004540 RNA nuclease activity
GO:0005525 GTP binding
GO:0008270 zinc ion binding
GO:0008832 dGTPase activity
GO:0016787 hydrolase activity
GO:0016793 triphosphoric monoester hydrolase activity
GO:0032567 dGTP binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0106375 deoxynucleoside triphosphate hydrolase activity
Biological Process
GO:0000724 double-strand break repair via homologous recombination
GO:0006203 dGTP catabolic process
GO:0006260 DNA replication
GO:0006281 DNA repair
GO:0006974 DNA damage response
GO:0009264 deoxyribonucleotide catabolic process
GO:0016446 somatic hypermutation of immunoglobulin genes
GO:0045087 innate immune response
GO:0045088 regulation of innate immune response
GO:0046061 dATP catabolic process
GO:0051289 protein homotetramerization
GO:0051607 defense response to virus
GO:0060339 negative regulation of type I interferon-mediated signaling pathway
GO:0110025 DNA strand resection involved in replication fork processing
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005886 plasma membrane
GO:0035861 site of double-strand break
GO:0097197 tetraspanin-enriched microdomain

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6brg, PDBe:6brg, PDBj:6brg
PDBsum6brg
PubMed29379009
UniProtQ60710|SAMH1_MOUSE Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=Samhd1)

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