Structure of PDB 8b9b Chain 2 Binding Site BS01

Receptor Information
>8b9b Chain 2 (length=568) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LREELTLESLSNVKANSYSEWITQPNVSRTIARELKSFLLEYTDETGRSV
YGARIRTLGEMNSESLEVNYRHLAESKAILALFLAKCPEEMLKIFDLVAM
EATELHYPDYARIHSEIHVRISDFPTIYSLRELRESNLSSLVRVTGVVTR
RTGVFPQLKYVKTVYRNYQRVTLQEAPGTVPPGRLPRHREVILLADLVDV
SKPGEEVEVTGIYKNNYDGNLNAKNGFPVFATIIEANSIKRSWTEEEERE
FRKISRDRGIIDKIISSMAPSIYGHRDIKTAVACSLFGGVPKNVNGKHSI
RGDINVLLLGDPGTAKSQILKYVEKTAHRAVFAALVLADKGVCLIDEFDQ
DRTSIHEAMEQQSISISKAGIVTTLQARCSIIAAANPNGGRYNSTLPLAQ
NVSLTEPILSRFDILCVVRDLVDEEADERLATFVVDSHVRSHPELQRQRK
KEEEISPIPQELLMKYIHYARTKIYPKLHQMDMDKVSRVYADLRRESIST
GSFPITVRHLESILRIAESFAKMRLSEFVSSYDLDRAIKVVVDSFVDAQK
VSVRRQLRRSFAIYTLGH
Ligand information
Ligand IDANP
InChIInChI=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
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(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 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(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
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain8b9b Chain 2 Residue 1500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8b9b How Pol alpha-primase is targeted to replisomes to prime eukaryotic DNA replication.
Resolution3.5 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 score3
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
PDBsum8b9b
PubMed37506699
UniProtP29469|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)

[Back to BioLiP]