Structure of PDB 7v3v Chain 6 Binding Site BS02
Receptor Information
>7v3v Chain 6 (length=646) Species:
559292
(Saccharomyces cerevisiae S288C) [
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KKVDDVTGEKVREAFEQFLEDFSVQSTDTGEVEKVYRAQIEFMKIYDLNT
IYIDYQHLSMRENGALAMAISEQYYRFLPFLQKGLRRVVRKYAPELLNTE
RVFQISFFNLPTVHRIRDIRSEKIGSLLSISGTVTRTSEVRPELYKASFT
CDMCRAIVDNVEQSFKYTEPTFCPNPSCENRAFWTLNVTRSRFLDWQKVR
IQENANEIPTGSMPRTLDVILRGDSVERAKPGDRCKFTGVEIVVPDVTQL
GLPGVKPSSTLDTRGISKTTEGLRSLGVRDLTYKISFLACHVISIGSNIG
ERDQEVFLNSLSSDEINELKEMVKDEHIYDKLVRSIAPAVFGHEAVKKGI
LLQMLGGVHKSTVEGIKLRGDINICVVGDPSTSKSQFLKYVVGFAPRSVY
TSGKASSAAGLTAAVVRDEEGGDYTIEAGALMLADNGICCIDEFDKMDIS
DQVAIHEAMEQQTISIAKAGIHATLNARTSILAAANPVGGRYNRKLSLRG
NLNMTAPIMSRFDLFFVILDDCNEKIDTELASHIVDLHMKRDEAIEPPFS
AEQLRRYIKYARTFKPILTKEARSYLVEKYKELRKDDAQGFSRSSYRITV
RQLESMIRLSEAIARANCVDEITPSFIAEAYDLLRQSIIRVDVDDV
Ligand information
Ligand ID
AGS
InChI
InChI=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
InChIKey
NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370
Nc1ncnc2n(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 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6
c1nc(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 12.01
O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
Formula
C10 H16 N5 O12 P3 S
Name
PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBL
CHEMBL131890
DrugBank
DB02930
ZINC
ZINC000008295128
PDB chain
7v3v Chain 6 Residue 2001 [
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Receptor-Ligand Complex Structure
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PDB
7v3v
Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
F538 P577 S578 T579 S580 K581 S582 Q583 N683 L727
Binding residue
(residue number reindexed from 1)
F341 P380 S381 T382 S383 K384 S385 Q386 N486 L530
Annotation score
4
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: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:1990518
single-stranded 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:0006271
DNA strand elongation involved in DNA replication
GO:0006279
premeiotic DNA replication
GO:0032508
DNA duplex unwinding
GO:1902969
mitotic DNA replication
Cellular Component
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
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7v3v
,
PDBe:7v3v
,
PDBj:7v3v
PDBsum
7v3v
PubMed
35296675
UniProt
P53091
|MCM6_YEAST DNA replication licensing factor MCM6 (Gene Name=MCM6)
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