Structure of PDB 6rqc Chain E Binding Site BS03

Receptor Information
>6rqc Chain E (length=459) 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
ISDYFSDIH
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 chain6rqc 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

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PDB6rqc Mechanism of head-to-head MCM double-hexamer formation revealed by cryo-EM.
Resolution4.4 Å
Binding residue
(original residue number in PDB)		S39 G40 T41 G42 K43 T44 Y45 K49 I200 M203 I255 F256
Binding residue
(residue number reindexed from 1)		S39 G40 T41 G42 K43 T44 Y45 K49 I200 M203 I255 F256
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
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Cellular Component
External links
PDB RCSB:6rqc, PDBe:6rqc, PDBj:6rqc
PDBsum6rqc
PubMed31748745
UniProtP50874|ORC5_YEAST Origin recognition complex subunit 5 (Gene Name=ORC5)

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