Structure of PDB 8s91 Chain C Binding Site BS01

Receptor Information
>8s91 Chain C (length=602) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FIPYKGWKLYFSEVYSDSSPLIEKIQAFEKFFTRHIDLYDKDEIERKGSI
LVDFKELTEGGEVTNLIPDIATELRDAPEKTLACMGLAIHQVLTKDLERH
AAELMVNVPHIHARVYNYEPLTQLKNVRANYYGKYIALRGTVVRVSNIKP
LCTKMAFLCAACGEIQSFPLPDGKYSLPTKCPVPVCRGRSFTALRSSPLT
VTMDWQSIKIQELMSDDQREAGRIPRTIECELVHDLVDSCVPGDTVTITG
IVKVSNAEKCMFLLYIEANSISNSEFSLKDLYAIQEIQAEENLFKLIVNS
LCPVIFGHELVKAGLALALFGGSQKYADDKNRIPIRGDPHILVVGDPGLG
KSQMLQAACNVAPRGVYVCGNTTTTSGLTVTAGALVLGDQGICGIDQFDK
MGNQHQALLEAMEQQSISLAKAGVVCSLPARTSIIAAANPVGGHYNKAKT
VSENLKMGSALLSRFDLVFILLDTPNEHHDHLLSEHVIAIRAKPLSERLK
VVPGETIDPIPHQLLRKYIGYARQYVYPRLSTEAARVLQDFYLELRKQSQ
RLNSSPITTRQLESLIRLTEARARLELREEATKEDAEDIVEIMKYSMLGT
YS
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 C 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)		F415 G457 G459 S461 L605
Binding residue
(residue number reindexed from 1)		F306 G348 G350 S352 L483
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:0019899 enzyme binding
GO:0032406 MutLbeta complex binding
GO:0032407 MutSalpha complex binding
GO:0032408 MutSbeta 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:0007292 female gamete generation
GO:0032508 DNA duplex unwinding
GO:0036298 recombinational interstrand cross-link repair
GO:0048232 male gamete generation
GO:0050821 protein stabilization
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:0005654 nucleoplasm
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
UniProtQ9UJA3|MCM8_HUMAN DNA helicase MCM8 (Gene Name=MCM8)

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