Structure of PDB 5zr1 Chain E Binding Site BS03

Receptor Information
>5zr1 Chain E (length=460) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVTTPEVAFREYQTNCLASYISADPDITPSNLILQGYSGTGKTYTLKKY
FNANPNLHAVWLEPVELVSWKPLLQAIARTVQYKLKTLYPNIPTTDYDPL
QVEEPFLLVKTLHNIFVQYESLQEKTCLFLILDGFDSLQDLDAALFNKYI
KLNELLPKDSKINIKFIYTMLETSFLQRYSTHCIPTVMFPRYNVDEVSTI
LVMSRCGELMEDSCLRKRIIEEQITDCTDDQFQNVAANFIHLIVQAFHSY
TGNDIFALNDLIDFKWPKYVSRITKENIFEPLALYKSAIKLFLSTDDNLS
QTYDLSIISKYLLIASYICSYLEPRYDASIFSRKTRIIQGRAAYGRRKKK
EVNPRYLQPSLFAIERLLAIFQAIFPIQGKAESGSLSALREESLMKANIE
VFQNLSELHTLKLIATTMNKNIDYLSPKVRWKVNVPWEIIKEISESVHFN
ISDYFSDIHE
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain5zr1 Chain E Residue 2001 [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]
PDB5zr1 Structure of the origin recognition complex bound to DNA replication origin.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S39 G40 T41 G42 K43 T44 Y45 Y192 I200 I255 F256
Binding residue
(residue number reindexed from 1)		S39 G40 T41 G42 K43 T44 Y45 Y192 I200 I255 F256
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5zr1, PDBe:5zr1, PDBj:5zr1
PDBsum5zr1
PubMed29973722
UniProtP50874|ORC5_YEAST Origin recognition complex subunit 5 (Gene Name=ORC5)

[Back to BioLiP]