Structure of PDB 7tji Chain I Binding Site BS01

Receptor Information
>7tji Chain I (length=376) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIFLRTKALLQKSSELVDGALPARTAEYEQVMNFLAKAISEHRSDSLYIT
GPPGTGKTAQLDMIIRQKFLQNLSWFELPDGRLESVAVTSINCISLGEPS
SIFQKIFDSFQDGPTLQIKNMQHLQKFLEPYTFVVVLDEMDRLLHANTSE
TQSVRTILELFLLAKLPTVSFVLIGMANSLDMLPQTIVFQPYTAEQMYEI
VIQKMSSLPTIIFQPMAIKFAAKKCAGNTGDLRKLFDVLRGSIEIYELEK
KIGLNYIAKVFSKFVSTRTRIAKLNIQQKLILCTIIQSLKLNSDATIDES
FDHYIKAITKTDTLAPLQRNEFLEICTILETCGLVSIKKTKCKGKTKRFV
DKIDVDLDMREFYDEMTKISILKPFL
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 chain7tji Chain I Residue 1001 [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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PDB7tji A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		K64 L78 P110 G111 T112 G113 K114 T115 A116 Y291 I299 L331 R332
Binding residue
(residue number reindexed from 1)		K12 L21 P53 G54 T55 G56 K57 T58 A59 Y192 I200 L232 R233
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0003688 DNA replication origin binding
GO:0003924 GTPase activity
GO:0004861 cyclin-dependent protein serine/threonine kinase inhibitor activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0000082 G1/S transition of mitotic cell cycle
GO:0006260 DNA replication
GO:0006267 pre-replicative complex assembly involved in nuclear cell cycle DNA replication
GO:0006270 DNA replication initiation
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0033314 mitotic DNA replication checkpoint signaling
GO:0051301 cell division
GO:0140530 MCM complex loading
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005656 nuclear pre-replicative complex
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0031261 DNA replication preinitiation complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7tji, PDBe:7tji, PDBj:7tji
PDBsum7tji
PubMed35217664
UniProtP09119|CDC6_YEAST Cell division control protein 6 (Gene Name=CDC6)

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