Structure of PDB 8s91 Chain D Binding Site BS02

Receptor Information
>8s91 Chain D (length=621) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNSDQVTLVGQVFESYVSEYHKNDILLILKERDEDAHYPVVVNAMTLFET
NMEIGEYFNMFPSEVLTIFDSALRRSALTILQSLSQPEAVSMKQNLHARI
SGLPVCPELVREHIPKTKDVGHFLSVTGTVIRTSLVKVLEFERDYMCNKC
KHVFVIKADFEQYYTFCRPSSCPSLESCDSPTRCRDYQEIKIQEQVQRLI
PRSMKVILEDDLVDSCKSGDDLTIYGIVMQRWKPFQQDVRCEVEIVLKAN
YIQVNNDEEVQKEFEDFWEYYKSDPFAGRNVILASLCPQVFGMYLVKLAV
AMVLAGGIQRTDATGTRVRGESHLLLVGDPGTGKSQFLKYAAKITPRSVL
TTGIGSTSAGLTVTEAGALVLADAGLCCIDQFNSLKEHDRTSIHEAMEQQ
TISVAKAGLVCKLNTRTTILAATNPKGQYDPQESVSVNIALGSPLLSRFD
LILVLLDTKNEDWDRIISSFILENKGYPSKSEKLWSMEKMKTYFCLIRNL
QPTLSDVGNQVLLRYYQMQRQSDCRNAARTTIRLLESLIRLAEAHARLMF
RDTVTLEDAITVVSVMESSMQGGALLGGVNALHTSFPENPGEQYQRQCEL
ILEKLELQSLLSEELRRLERL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8s91 Chain D Residue 2001 [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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PDB8s91 Activity, substrate preference and structure of the HsMCM8/9 helicase.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		G355 T356 S359 I501
Binding residue
(residue number reindexed from 1)		G331 T332 S335 I467
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
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:0019899 enzyme binding
GO:0032406 MutLbeta complex binding
GO:0032407 MutSalpha complex binding
GO:0032408 MutSbeta complex binding
GO:0044877 protein-containing complex binding
Biological Process
GO:0000724 double-strand break repair via homologous recombination
GO:0006139 nucleobase-containing compound metabolic process
GO:0006260 DNA replication
GO:0006281 DNA repair
GO:0006974 DNA damage response
GO:0007276 gamete generation
GO:0007292 female gamete generation
GO:0032508 DNA duplex unwinding
GO:0036298 recombinational interstrand cross-link repair
GO:0070716 mismatch repair involved in maintenance of fidelity involved in DNA-dependent DNA replication
GO:0071168 protein localization to chromatin
Cellular Component
GO:0005634 nucleus
GO:0005694 chromosome
GO:0042555 MCM complex
GO:0097362 MCM8-MCM9 complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8s91, PDBe:8s91, PDBj:8s91
PDBsum8s91
PubMed37309874
UniProtQ9NXL9|MCM9_HUMAN DNA helicase MCM9 (Gene Name=MCM9)

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