Structure of PDB 8qxl Chain A Binding Site BS05

Receptor Information
>8qxl Chain A (length=457) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCH
HLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHR
RAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTK
LTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKRE
DYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSFY
CKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFVQ
WCADRNF
Ligand information
Ligand ID3PO
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0OP(=O)(O)OP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)OP(=O)(O)O)(O)O
FormulaH5 O10 P3
NameTRIPHOSPHATE
ChEMBLCHEMBL1230191
DrugBankDB03896
ZINCZINC000006827739
PDB chain8qxl Chain A Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qxl Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		H215 K312 Y315 R366
Binding residue
(residue number reindexed from 1)		H102 K191 Y194 R245
Annotation score5
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:0005515 protein binding
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:0006955 immune response
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:8qxl, PDBe:8qxl, PDBj:8qxl
PDBsum8qxl
PubMed38710701
UniProtQ9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

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