Structure of PDB 6wgg Chain A Binding Site BS02

Receptor Information
>6wgg Chain A (length=424) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRFENKLKTTQKHQIVETIFSKVKKQLNSSYYLPARENEFASIYLSAYSA
IESDSATTIYVAGTPGVGKTLTVREVVKELLSSDFLYVEINGLKMVKPTD
CYETLWNKVSGERLTWAASMESLEFYFKRVPKTIVVLLDELDAMVTKSQD
IMYNFFNWTTYENAKLIVIAVANTMDLPERQLGNKITSRIGFTRIMFTGY
THEELKNIIDLRLKGLNDSFFYVDTKTGNAILVRKVRLRMSADAIEIASR
KVASVSGDARRALKVCKRAAEIAEKHYMAKHGYGYDGVQTVHITHVMKAL
NETLNSHVITFMTRLSFTAKLFIYALLNLMKKNGSQEQELGDIVDEIKLL
IEVNGSNFVMEIAKTLFQQGSDNISEQLRIISWDFVLNQLLDAGILFKQT
MKNDRICCVKLNISVEEAKRAMNE
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 chain6wgg Chain A 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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PDB6wgg Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Resolution8.1 Å
Binding residue
(original residue number in PDB)		S432 L449 P481 G482 V483 G484 K485 T486 L487 Y627 I635 R639 R704
Binding residue
(residue number reindexed from 1)		S29 L33 P65 G66 V67 G68 K69 T70 L71 Y200 I208 R212 R260
Annotation score4
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
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6wgg, PDBe:6wgg, PDBj:6wgg
PDBsum6wgg
PubMed32669428
UniProtP54784|ORC1_YEAST Origin recognition complex subunit 1 (Gene Name=ORC1)

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