Structure of PDB 7tjj Chain E Binding Site BS03

Receptor Information
>7tjj Chain E (length=438) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVTTPEVAFREYQTNCLASYISADPDITPSNLILQGYSGTGKTYTLKKYF
NANPNLHAVWLEPVELVSWKPLLQAIARTVQYKLKTLYPNIPTTDYDPLQ
VEEPFLLVKTLHNIFVQYESLQEKTCLFLILDGFDSLQDLDAALFNKYIK
LNELLPKDSKINIKFIYTMLETSFLQRYSTHCIPTVMFPRYNVDEVSTIL
VMSRCGELMEDSCLRKRIIEEDDQFQNVAANFIHLIVQAFHSYTGNDIFA
LNDLIDFKWPKYVSRITKENIFEPLALYKSAIKLFLSTDDNLDLSIISKY
LLIASYICSYLEPRYDASIFSRKTRIIQGRAAYGRRKKKEVNPRYLQPSL
FAIERLLAIFQAIFPIALREESLMKANIEVFQNLSELHTLKLIATTMNKN
IDYLSPKVRWKVNVPWEIIKEISESVHFNISDYFSDIH
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 chain7tjj Chain E 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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PDB7tjj A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S39 G40 T41 G42 K43 T44 Y45 I200 F256
Binding residue
(residue number reindexed from 1)		S38 G39 T40 G41 K42 T43 Y44 I199 F249
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003688 DNA replication origin binding
GO:0005515 protein binding
GO:0005524 ATP 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:0006275 regulation of DNA replication
GO:0030466 silent mating-type cassette heterochromatin formation
Cellular Component
GO:0000808 origin recognition complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005656 nuclear pre-replicative complex
GO:0005664 nuclear origin of replication recognition complex
GO:0031261 DNA replication preinitiation complex
GO:0035361 Cul8-RING ubiquitin ligase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7tjj, PDBe:7tjj, PDBj:7tjj
PDBsum7tjj
PubMed35217664
UniProtP50874|ORC5_YEAST Origin recognition complex subunit 5 (Gene Name=ORC5)

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