Structure of PDB 6wgi Chain D Binding Site BS01

Receptor Information
>6wgi Chain D (length=436) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPGFGSLQRRLLQQLYGTLPTDEKIIFTYLQDCQQEIDRIIKQSIIQKES
HSVILVGPRQSYKTYLLDYELSLLQQSYKEQFITIRLNGFIHSEQTAING
IATQLEQQLQKIHTISSGSLTEVFEKILLLLDSITKITVVFIFDEIDTFA
GPVRQTLLYNLFDMVEHSRVPVCIFGCTTKLNILEYLEKRVKSRFSQRVI
YMPQIQNLDDMVDAVRNLLTVRSEISPWVSQWNETLEKELSDPRSNLNRH
IRMNFETFRSLPTLKNSIIPLVATSKNFGSLCTAIKSCSFLDIYNKNQLS
NNLTGRLQSLSDLELAILISAARVALRAKDGSFNFNLAYAEYEKMIKAIN
SRITIKLWLKKDVKNVWENLVQLDFFTEKSAVGLRDNATAAFYASNYQFQ
GTMIPFDLRSYQMQIILQELRRIIPKSNMYYSWTQL
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 chain6wgi Chain D Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wgi Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Resolution10.0 Å
Binding residue
(original residue number in PDB)		R104 Q105 S106 Y107 K108 T109 Y110 D217 E218 K338
Binding residue
(residue number reindexed from 1)		R59 Q60 S61 Y62 K63 T64 Y65 D144 E145 K265
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003688 DNA replication origin binding
GO:0005515 protein 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
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wgi, PDBe:6wgi, PDBj:6wgi
PDBsum6wgi
PubMed32669428
UniProtP54791|ORC4_YEAST Origin recognition complex subunit 4 (Gene Name=ORC4)

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