Structure of PDB 7st9 Chain A Binding Site BS03

Receptor Information
>7st9 Chain A (length=522) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEQWYEKFKPNCLEQVAIHKRKLKDVQEALDAMFLPNAKHRILLLSGPSG
CSKSTVIKELSKILVPKYRQNSNGTSFRSTPNEHKVTEFRGDCIVNDLPQ
MESFSEFLKGARYLVMSNLSLILIEDLPNVFHIDTRRRFQQLILQWLYSS
EPLLPPLVICITECEIPENDNNYRKFGIDYTFSAETIMNKEILMHPRLKR
IKFNPINSTLLKKHLKFICVQNMKMLKEKNKWNKRQEVIDYIAQETGDIR
SAITTLQFWATSSGSLPISTRESTISYFHAIGKVIHGSHSTNNDNEMINN
LFENSNNLLSKEDFKLGILENYNTFNKGEFSISDASSIVDCLSECDNMNG
LPESNEYGLREVRKTFRNISKQGHNHGTVYFPREWKVRKLQNSFKVQAED
WLNVSLYKYNAVHSFRNITLEFGYYAPLIRKCQSYKKKYILYYLKNLDKF
SDIMKVENGIDVVDRIGGPIEALSDHLEDQKKERDRRLRMLIDQYERNVM
MANDDLEDEETSFNDDPIVDSD
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 chain7st9 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7st9 Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y67 P72 A79 S111 G112 C113 S114 K115 S116 T117 E187 T224 H276 R312
Binding residue
(residue number reindexed from 1)		Y5 P10 A17 S49 G50 C51 S52 K53 S54 T55 E125 T162 H214 R250
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0003689 DNA clamp loader activity
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0000077 DNA damage checkpoint signaling
GO:0006281 DNA repair
GO:0006289 nucleotide-excision repair
GO:0006974 DNA damage response
GO:0007131 reciprocal meiotic recombination
GO:0033314 mitotic DNA replication checkpoint signaling
Cellular Component
GO:0005634 nucleus
GO:0031389 Rad17 RFC-like complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7st9, PDBe:7st9, PDBj:7st9
PDBsum7st9
PubMed35314831
UniProtP32641|RAD24_YEAST Checkpoint protein RAD24 (Gene Name=RAD24)

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