Structure of PDB 6wgc Chain E Binding Site BS02

Receptor Information
>6wgc Chain E (length=422) 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
VMSRCGELMEDSCLRKRIIEEQITDCTDDQFQNVAANFIHLIVQAFHSYT
GNDIFALNDLIDFKWPKYVSRITKENIFEPLALYKSAIKLFLSTDDNLSQ
TYDLSIISKYLLIASYICSYLEPRYDASIFSRKNPRYLQPSLFAIERLLA
IFQAIFPSLMKANIEVFQNLSELHTLKLIATTMNKNIDYLSPKVRWKVNV
PWEIIKEISESVHFNISDYFSD
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 chain6wgc Chain E Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wgc Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		A9 S39 G40 T41 G42 K43 T44 Y45 I200
Binding residue
(residue number reindexed from 1)		A8 S38 G39 T40 G41 K42 T43 Y44 I199
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wgc, PDBe:6wgc, PDBj:6wgc
PDBsum6wgc
PubMed32669428
UniProtP50874|ORC5_YEAST Origin recognition complex subunit 5 (Gene Name=ORC5)

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