Structure of PDB 7w8g Chain G Binding Site BS02

Receptor Information
>7w8g Chain G (length=699) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAALPSIQLPVDYNNLFNEITDFLVTFKQDKGPKYMAMLQKVANRELNSV
IIDLDDILQYQNEKFLQGTQADDLVSAIQQNANHFTELFCRAIDNNMPLP
TKEIDYKDDVLDVILNQRRLRNERMLSDRTNEIRSENLMDTPPSSMNDAL
REVVEDETELFPPNLTRRYFLYFKPLSQNCARRYRKKAISSKPLSVRQIK
GDFLGQLITVRGIITRVSDVKPAVEVIAYTCDQCGYEVFQEVNSRTFTPL
SECTSEECSQNQTKGQLFMSTRASKFSAFQECKIQELSQQVPVGHIPRSL
NIHVNGTLVRSLSPGDIVDVTGIFLPAPYTGFKALKAGLLTETYLEAQFV
RQHKKKFASFSLTSDVEERVMELITSGDVYNRLAKSIAPEIYGNLDVKKA
LLLLLVGGVDKRVGDGMKIRGDINVCLMGDPGVAKSQLLKAICKISPRGV
YTTGKGSSGVGLTAAVMKDPVTDEMILEGGALVLADNGICCIDEFDKMDE
SDRTAIHEVMEQQTISISKAGINTTLNARTSILAAANPLYGRYNPRLSPL
DNINLPAALLSRFDILFLMLDIPSRDDDEKLAEHVTYVHMHNKQPDLDFT
PVEPSKMREYIAYAKTKRPVMSEAVNDYVVQAYIRLRQDSKREMDSKFSF
GQATPRTLLGIIRLSQALAKLRLADMVDIDDVEEALRLVRVSKESLYQE
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 chain7w8g Chain G 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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PDB7w8g Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		I422 Y423 P462 G463 V464 A465 K466 S467 Q468 N568 L612
Binding residue
(residue number reindexed from 1)		I391 Y392 P431 G432 V433 A434 K435 S436 Q437 N537 L581
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:7w8g, PDBe:7w8g, PDBj:7w8g
PDBsum7w8g
PubMed35296675
UniProtP38132|MCM7_YEAST DNA replication licensing factor MCM7 (Gene Name=MCM7)

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