Structure of PDB 8p62 Chain 5 Binding Site BS03

Receptor Information
>8p62 Chain 5 (length=693) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDDDNTEIIKSFKNFILEFRLDSQFIYRDQLRNNILVKNYSLTVNMEHLI
GYNEDIYKKLSDEPSDIIPLFETAITQVAKRISILSRAQLLNSLPTFQLI
LNSNANQIPLRDLDSEHVSKIVRLSGIIISTSVLSSRATYLSIMCRNCRH
TTSITINNFNSITGNTVSLPRSCLSKNCGPDPYIIIHESSKFIDQQFLKL
QEIPELVPVGEMPRNLTMTCDRYLTNKVIPGTRVTIVGIYSIYNSKNGSG
VAIRTPYIKILGIQSDVETSSVTMFTEEEEEEFLQLSRNPKLYEILTNSI
APSIFGNEDIKKAIVCLLMGGSKKILPDGMRLRGDINVLLLGDPGTAKSQ
LLKFVEKVSPIAVYTSGKGSSAAGLTASVQRDPMTREFYLEGGAMVLADG
GVVCIDEFDKMRDEDRVAIHEAMEQQTISIAKAGITTVLNSRTSVLAAAN
PIYGRYDDLKSPGDNIDFQTTILSRFDMIFIVKDDHNEERDISIANHVIN
IHTGNANAMQNQQEENGSEISIEKMKRYITYCRLKCAPRLSPQAAEKLSS
NFVTIRKQLLINELESTERSSIPITIRQLEAIIRITESLAKLELSPIAQE
RHVDEAIRLFQASTMDAASQDPIGGTSLSEIRRFEQELKRRLPIGWSTSY
QTLRREFVDTHRFSQLALDKALYALEKHETIQLRHQGQNIYRS
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 chain8p62 Chain 5 Residue 1701 [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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PDB8p62 Unwinding of a eukaryotic origin of replication visualized by cryo-EM.
Resolution3.9 Å
Binding residue
(original residue number in PDB)
F379 G419 T420 A421 K422 S423 Q424
Binding residue
(residue number reindexed from 1)
F305 G345 T346 A347 K348 S349 Q350
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:0003688 DNA replication origin binding
GO:0003697 single-stranded DNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 DNA replication
GO:0006267 pre-replicative complex assembly involved in nuclear cell cycle DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006270 DNA replication initiation
GO:0006279 premeiotic DNA replication
GO:0006368 transcription elongation by RNA polymerase II
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0031507 heterochromatin formation
GO:0031509 subtelomeric heterochromatin formation
GO:0033260 nuclear DNA replication
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005656 nuclear pre-replicative complex
GO:0005737 cytoplasm
GO:0031261 DNA replication preinitiation complex
GO:0031298 replication fork protection complex
GO:0042555 MCM complex
GO:0043596 nuclear replication fork
GO:0071162 CMG complex

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:8p62, PDBe:8p62, PDBj:8p62
PDBsum8p62
PubMed38760633
UniProtP29496|MCM5_YEAST Minichromosome maintenance protein 5 (Gene Name=MCM5)

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