Structure of PDB 7tjf Chain A Binding Site BS03

Receptor Information
>7tjf Chain A (length=486) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIRKFTKKNVARAKKKYTPFSKRFKSIAAIPDLTSLPEFYGNSRFENKLK
TTQKHQIVETIFSKVKKQLNSSYLPARENEFASIYLSAYSAIESDSATTI
YVAGTPGVGKTLTVREVVKELLSSSAQREIPDFLYVEINGLKMVKPTDCY
ETLWNKVSGERLTWAASMESLEFYFKRVPKNKKKTIVVLLDELDAMVTKS
QDIMYNFFNWTTYENAKLIVIAVANTMDLPERQLGNKITSRIGFTRIMFT
GYTHEELKNIIDLRLKGLNDSFFYVDTKTGNAILIDVRKVRLRMSADAIE
IASRKVASVSGDARRALKVCKRAAEIAEKHYMAKHGYGYDGVQTVHITHV
MKALNETLNSHVITFMTRLSFTAKLFIYALLNLMKKNGSQEQELGDIVDE
IKLLIEVNGSNKFVMEIAKTLFQQGSDNISEQLRIISWDFVLNQLLDAGI
LFKQTMKNDRICCVKLNISVEEAKRAMNEDETLRNL
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(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
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7tjf Chain A Residue 1001 [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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PDB7tjf A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S432 P450 P481 G482 G484 K485 T486 L487 Y627 R639 A703 R704
Binding residue
(residue number reindexed from 1)		S71 P75 P106 G107 G109 K110 T111 L112 Y252 R264 A313 R314
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003688 DNA replication origin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0031491 nucleosome binding
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0006267 pre-replicative complex assembly involved in nuclear cell cycle DNA replication
GO:0006270 DNA replication initiation
GO:0030466 silent mating-type cassette heterochromatin formation
GO:0033314 mitotic DNA replication checkpoint signaling
GO:0034728 nucleosome organization
GO:0043007 maintenance of rDNA
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005656 nuclear pre-replicative complex
GO:0005664 nuclear origin of replication recognition complex
GO:0005694 chromosome
GO:0031261 DNA replication preinitiation complex
GO:0032993 protein-DNA complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7tjf, PDBe:7tjf, PDBj:7tjf
PDBsum7tjf
PubMed35217664
UniProtP54784|ORC1_YEAST Origin recognition complex subunit 1 (Gene Name=ORC1)

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