Structure of PDB 7sgz Chain A Binding Site BS03

Receptor Information
>7sgz Chain A (length=418) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEQWYEKFKPNCLEQVAIHKRKLKDVQEALDAMFLPNAKHRILLLSGPSG
CSKSTVIKELSKILVPKYHKVTEFRGDCIVNDLPQMESFSEFLKGARYLV
MSNLSLILIEDLPNVFHIDTRRRFQQLILQWLYSSEPLLPPLVICITECE
IPENDNNYRKFGIDYTFSAETIMNKEILMHPRLKRIKFNPINSTLLKKHL
KFICVQNMKMLKEKNKWNKRQEVIDYIAQETGDIRSAITTLQFWATSSGS
LPISTRESTISYFHAIGKVIHGSHSTNNDNEMINNLFENSNNLLSKEDFK
LGILENYNTFNKGEFSISDASSIVDCLSECDNMNGLPESNEYGLREVRKT
FRNISKQGHNHGTVYFPREWKVRKLQNSFKVQAEDWLNVSLYKYNAVHSF
RNITLEFGYYAPLIRKCQ
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 chain7sgz Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sgz DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Resolution3.17 Å
Binding residue
(original residue number in PDB)		Y67 F70 P72 Q77 S111 G112 S114 K115 T117 E187 H276 I311 R312
Binding residue
(residue number reindexed from 1)		Y5 F8 P10 Q15 S49 G50 S52 K53 T55 E110 H199 I234 R235
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:7sgz, PDBe:7sgz, PDBj:7sgz
PDBsum7sgz
PubMed35314830
UniProtP32641|RAD24_YEAST Checkpoint protein RAD24 (Gene Name=RAD24)

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