Structure of PDB 8q6p Chain 2 Binding Site BS01

Receptor Information
>8q6p Chain 2 (length=431) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTDEDVKAIVALSKDERIGERIFASIAPSIYGHEDIKRGLALALFGGEAK
NPGGKHKVRGDINVLLCGDPGTAKSQFLKYVEKVASRAVFTTGQGASAVG
LTAYVQRHPVTKEWTLEAGALVLADRGVCLIDEFDKMNDQDRTSIHEAME
QQSISISKAGIVTSLQARCTVIAASNPIGGRYDPSLTFSENVDLTEPIVS
RFDILCVVRDTVDPVQDEMLARFVVSSHIKHHPPNTFGVEALPQEVLKKY
IMYAKEKIRPKLNQMDQDKVAKMYSDLRKESMATGSIPITVRHIESMIRM
AEAHARMHLRDYVVEDDVNMAIRVMLESFIDTQKFSVMRSMRKTFARYLA
FRRDNNELLLFVLKQLIAEQVTYQRNRYGAQQDTIEVPEKDLVDKARQIN
IHNLSAFYDSDLFKMNKFTHDVKKKLIIQQF
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8q6p Chain 2 Residue 901 [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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PDB8q6p The structural mechanism of dimeric DONSON in replicative helicase activation.
Resolution3.53 Å
Binding residue
(original residue number in PDB)		Y471 A513 K514 S515 Q516 L660
Binding residue
(residue number reindexed from 1)		Y31 A73 K74 S75 Q76 L220
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003697 single-stranded DNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0043138 3'-5' DNA helicase activity
GO:0046872 metal ion binding
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006270 DNA replication initiation
GO:0006279 premeiotic DNA replication
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0032508 DNA duplex unwinding
GO:1902975 mitotic DNA replication initiation
GO:1905775 negative regulation of DNA helicase activity
Cellular Component
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005694 chromosome
GO:0042555 MCM complex
GO:0071162 CMG complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8q6p, PDBe:8q6p, PDBj:8q6p
PDBsum8q6p
PubMed37820732
UniProtP55861|MCM2_XENLA DNA replication licensing factor mcm2 (Gene Name=mcm2)

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