Structure of PDB 8b9b Chain 2 Binding Site BS01
Receptor Information
>8b9b Chain 2 (length=568) Species:
4932
(Saccharomyces cerevisiae) [
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LREELTLESLSNVKANSYSEWITQPNVSRTIARELKSFLLEYTDETGRSV
YGARIRTLGEMNSESLEVNYRHLAESKAILALFLAKCPEEMLKIFDLVAM
EATELHYPDYARIHSEIHVRISDFPTIYSLRELRESNLSSLVRVTGVVTR
RTGVFPQLKYVKTVYRNYQRVTLQEAPGTVPPGRLPRHREVILLADLVDV
SKPGEEVEVTGIYKNNYDGNLNAKNGFPVFATIIEANSIKRSWTEEEERE
FRKISRDRGIIDKIISSMAPSIYGHRDIKTAVACSLFGGVPKNVNGKHSI
RGDINVLLLGDPGTAKSQILKYVEKTAHRAVFAALVLADKGVCLIDEFDQ
DRTSIHEAMEQQSISISKAGIVTTLQARCSIIAAANPNGGRYNSTLPLAQ
NVSLTEPILSRFDILCVVRDLVDEEADERLATFVVDSHVRSHPELQRQRK
KEEEISPIPQELLMKYIHYARTKIYPKLHQMDMDKVSRVYADLRRESIST
GSFPITVRHLESILRIAESFAKMRLSEFVSSYDLDRAIKVVVDSFVDAQK
VSVRRQLRRSFAIYTLGH
Ligand information
Ligand ID
ANP
InChI
InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey
PVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
Formula
C10 H17 N6 O12 P3
Name
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBL
CHEMBL1230989
DrugBank
ZINC
ZINC000008660410
PDB chain
8b9b Chain 2 Residue 1500 [
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Receptor-Ligand Complex Structure
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PDB
8b9b
How Pol alpha-primase is targeted to replisomes to prime eukaryotic DNA replication.
Resolution
3.5 Å
Binding residue
(original residue number in PDB)
G546 A548 K549 S550 Q551 L695
Binding residue
(residue number reindexed from 1)
G313 A315 K316 S317 Q318 L430
Annotation score
3
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:8b9b
,
PDBe:8b9b
,
PDBj:8b9b
PDBsum
8b9b
PubMed
37506699
UniProt
P29469
|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)
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