Structure of PDB 8w7m Chain 7 Binding Site BS03

Receptor Information
>8w7m Chain 7 (length=657) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPSIQLPVDYNNLFNEITDFLVTFKQDTLSGPKYMAMLQKVANRELNSV
IIDLDDILQYQNEKFLQGTQADDLVSAIQQNANHFTELFCRAIDNNMPLP
TKEIDYKDDVLDVILNQRRLRNEELFPPNLTRRYFLYFKPLSQNCARRYR
KKAISSKPLSVRQIKGDFLGQLITVRGIITRVSDVKPAVEVIAYTCDQCG
YEVFQEVNSRTFTPLSECTSEECSQNQTKGQLFMSTRASKFSAFQECKIQ
ELSQQVPVGHIPRSLNIHVNGTLVRSLSPGDIVDVTGIFLPAPYTGFKAL
KAGLLTETYLEAQFVRQHKKTSDVEERVMELITSGDVYNRLAKSIAPEIY
GNLDVKKALLLLLVGGVDKRVGDGMKIRGDINVCLMGDPGVAKSQLLKAI
CKISPRGVYTTGKGSSGVGLTAAVMKDPVTDEMILEGGALVLADNGICCI
DEFDKMDESDRTAIHEVMEQQTISISKAGINTTLNARTSILAAANPLYGR
YNPRLSPLDNINLPAALLSRFDILFLMLDIPSRDDDEKLAEHVTYVHMHN
KQPDLDFTPVEPSKMREYIAYAKTKRPVMSEAVNDYVVQAYIRLRQDSKR
EMDSKFSFGQATPRTLLGIIRLSQALAKLRLADMVDIDDVEEALRLVRVS
KESLYQE
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain8w7m Chain 7 Residue 902 [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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PDB8w7m Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Resolution4.12 Å
Binding residue
(original residue number in PDB)		E421 I422 Y423 G463 V464 A465 K466 S467 L612
Binding residue
(residue number reindexed from 1)		E348 I349 Y350 G390 V391 A392 K393 S394 L539
Annotation score4
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: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:0009378 four-way junction helicase activity
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0043138 3'-5' DNA helicase activity
GO:1904931 MCM complex binding
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:0006271 DNA strand elongation involved in DNA replication
GO:0006279 premeiotic DNA replication
GO:0030466 silent mating-type cassette heterochromatin formation
GO:0031509 subtelomeric heterochromatin formation
GO:0032508 DNA duplex unwinding
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
GO:0097373 MCM core complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8w7m, PDBe:8w7m, PDBj:8w7m
PDBsum8w7m
PubMed37730685
UniProtP38132|MCM7_YEAST DNA replication licensing factor MCM7 (Gene Name=MCM7)

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