Structure of PDB 8thc Chain A Binding Site BS01

Receptor Information
>8thc Chain A (length=479) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGDKELSDRSVDIPLPFRTIPPLNHNFLPSDYESLKDKNSASCIPVRYQA
PVLLGTNIKRNTTLTWPQLFKPVTLKQVLIEPKLKLRIKNWIETSFHTLE
KPTEFVPLMILHGNSIGKKTLIQTIMREIAGDDNSYQIYEVNSNMNRSKK
DLLDILLDFTTTHYVKSDYGLVLFNDVDVLFKEHDRGYWAMISKLCEFSR
RPLVLTCKDLSLVPSELIALASEQNSLFHTKKISTSTVYAFLTKYLKSLE
IEVCDDWLRDVVKQNNADIRKCLMHLQFWCVDTEADLISSKNRLPVLTST
LGSSVKDISQLTDLLSINDVIGQATLNRSMVRQEIDSTTMTPEKVNTFQD
QNLDDEMKLKFDYVIDYKLHLNDPNRQPLLPFELNIYQHIQEQLEARYSY
VREANHRLDNEYLVNRFKKMTESTLNFLASRENAEIDLLSATTQQIKAEI
NPFVFEIAKSDANVKNFNADPSIVVRKWE
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 chain8thc Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8thc Structure of the PCNA unloader Elg1-RFC
Resolution3.67 Å
Binding residue
(original residue number in PDB)		P242 P247 Q252 V253 L254 I341 K343 K344 T345 I500 R501
Binding residue
(residue number reindexed from 1)		P67 P72 Q77 V78 L79 I116 K118 K119 T120 I269 R270
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0005515 protein binding
Biological Process
GO:0000724 double-strand break repair via homologous recombination
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0007064 mitotic sister chromatid cohesion
GO:0010526 retrotransposon silencing
GO:0031507 heterochromatin formation
GO:0090618 DNA clamp unloading
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0031391 Elg1 RFC-like complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8thc, PDBe:8thc, PDBj:8thc
PDBsum8thc
PubMed38427736
UniProtQ12050|ELG1_YEAST Telomere length regulation protein ELG1 (Gene Name=ELG1)

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