Structure of PDB 7p30 Chain A Binding Site BS03
Receptor Information
>7p30 Chain A (length=623) Species:
559292
(Saccharomyces cerevisiae S288C) [
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LESLSNVKANSYSEWITQPNVSRTIARELKSFLLEYTDETGRSVYGARIR
TLGEMNSESLEVNYRHLAESKAILALFLAKCPEEMLKIFDLVAMEATELH
YPDYARIHSEIHVRISDFPTIYSLRELRESNLSSLVRVTGVVTRRTGVFP
QLKYVKFNCLKCGSILGPFFQDSNEEIRISFCTNCKSKGPFRVNGEKTVY
RNYQRVTLQEAPGTVPPGRLPRHREVILLADLVDVSKPGEEVEVTGIYKN
NYDGNLNAKNGFPVFATIIEANSIKRRVFSWTEEEEREFRKISRDRGIID
KIISSMAPSIYGHRDIKTAVACSLFGGVPKNVNGKHSIRGDINVLLLGDP
GTAKSQILKYVEKTAHRAVFATGQGASAVGLTASVRKDPITKEWTLEGGA
LVLADKGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVTTLQARCS
IIAAANPNGGRYNSTLPLAQNVSLTEPILSRFDILCVVRDLVDEEADERL
ATFVVDSHVRSHPESPIPQELLMKYIHYARTKIYPKLHQMDMDKVSRVYA
DLRRESISTGSFPITVRHLESILRIAESFAKMRLSEFVSSYDLDRAIKVV
VDSFVDAQKVSVRRQLRRSFAIY
Ligand information
Ligand ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
7p30 Chain A Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
7p30
Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
T547 A548 K549 S550
Binding residue
(residue number reindexed from 1)
T352 A353 K354 S355
Annotation score
5
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
GO:0046872
metal ion 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:0006974
DNA damage response
GO:0032508
DNA duplex unwinding
GO:1902975
mitotic DNA replication initiation
GO:1905775
negative regulation of DNA helicase activity
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
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7p30
,
PDBe:7p30
,
PDBj:7p30
PDBsum
7p30
PubMed
34963704
UniProt
P29469
|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)
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