Structure of PDB 7mca Chain I Binding Site BS01

Receptor Information
>7mca 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]
ALLQKSSELVNLNARTAEYEQVMNFLAKAISEHRSDSLYITGPPGTGKTA
QLDMIIRQKFQSLESVAVTSINCISLGEPSSIFQKIFDSFQDLNGPTLQI
KNMQHLQKFLEPYHKKTTFVVVLDEMDRLLHANTSETQSVRTILELFLLA
KLPTVSFVLIGMANSLDMKDRFLSRLNLDRGLLPQTIVFQPYTAEQMYEI
VIQKMSSLPTIIFQPMAIKFAAKKCAGNTGDLRKLFDVLRGSIEIYELEK
GKIGLNYIAKVFSKFVNNNSTRTRIAKLNIQQKLILCTIIQSLKLNSDAT
IDESFDHYIKAITKAPLQRNEFLEICTILETCGLVSIKKTKCKGKTKRFV
DKIDVDLDMREFYDEMTKISILKPFL
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 chain7mca Chain I Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mca The structure of ORC-Cdc6 on an origin DNA reveals the mechanism of ORC activation by the replication initiator Cdc6.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		N73 P110 G111 G113 K114 T115 A116 N263 M296 L331 R332
Binding residue
(residue number reindexed from 1)		N13 P44 G45 G47 K48 T49 A50 N164 M197 L232 R233
Annotation score4
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
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7mca, PDBe:7mca, PDBj:7mca
PDBsum7mca
PubMed34162887
UniProtP09119|CDC6_YEAST Cell division control protein 6 (Gene Name=CDC6)

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