Structure of PDB 7su3 Chain B Binding Site BS04

Receptor Information
>7su3 Chain B (length=496) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYSGRDSLIFLVDASKAMFESQSEDELTPFDMSIQCIQSVYISKIISSDR
DLLAVVFYGTEKDKNSVNFKNIYVLQELDNPGAKRILELDQFKGQQGQKR
FQDMMGHGSDYSLSEVLWVCANLFSDVQFKMSHKRIMLFTNEDNPHGNDS
AKASRARTKAGDLRDTGIFLDLMHLKKPGGFDISLFYRDIISVHFEESSK
LEDLLRKVRAKETRKRALSRLKLKLNKDIVISVGIYNLVQKALKPPPIKL
YRETNEPVKTKTRTFNTSTGGLLLPSDTKRSQIYGSRQIILEKEETEELK
RFDDPGLMLMGFKPLVLLKKHHYLRPSLFVYPEESLVIGSSTLFSALLIK
CLEKEVAALCRYTPRRNIPPYFVALVPQEEELDDQKIQVTPPGFQLVFLP
FADDKRKMPFTEKIMATPEQVGKMKAIVEKLRFTYRSDSFENPVLQQHFR
NLEALALDLMEPEQAVDLTLPKVEAMNKRLGSLVDEFKELVYPPDY
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain7su3 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7su3 Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		H359 K445
Binding residue
(residue number reindexed from 1)		H321 K407
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
4.2.99.-
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0003684 damaged DNA binding
GO:0003690 double-stranded DNA binding
GO:0003691 double-stranded telomeric DNA binding
GO:0003723 RNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0016887 ATP hydrolysis activity
GO:0030332 cyclin binding
GO:0042162 telomeric DNA binding
GO:0044877 protein-containing complex binding
GO:0045027 DNA end binding
GO:0051575 5'-deoxyribose-5-phosphate lyase activity
GO:0097110 scaffold protein binding
Biological Process
GO:0000723 telomere maintenance
GO:0000725 recombinational repair
GO:0002218 activation of innate immune response
GO:0006266 DNA ligation
GO:0006281 DNA repair
GO:0006303 double-strand break repair via nonhomologous end joining
GO:0006310 DNA recombination
GO:0010558 negative regulation of macromolecule biosynthetic process
GO:0032508 DNA duplex unwinding
GO:0045087 innate immune response
GO:0045621 positive regulation of lymphocyte differentiation
GO:0045860 positive regulation of protein kinase activity
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0048660 regulation of smooth muscle cell proliferation
GO:0071475 cellular hyperosmotic salinity response
GO:0071480 cellular response to gamma radiation
GO:0071481 cellular response to X-ray
GO:0097680 double-strand break repair via classical nonhomologous end joining
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0000783 nuclear telomere cap complex
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005667 transcription regulator complex
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005829 cytosol
GO:0005958 DNA-dependent protein kinase-DNA ligase 4 complex
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0032993 protein-DNA complex
GO:0034774 secretory granule lumen
GO:0043564 Ku70:Ku80 complex
GO:0070418 DNA-dependent protein kinase complex
GO:0070419 nonhomologous end joining complex
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7su3, PDBe:7su3, PDBj:7su3
PDBsum7su3
PubMed34936881
UniProtP12956|XRCC6_HUMAN X-ray repair cross-complementing protein 6 (Gene Name=XRCC6)

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