Structure of PDB 7uqj Chain A Binding Site BS03

Receptor Information
>7uqj Chain A (length=585) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIADLDPLGVDMNVNFDDIGGLDNYIDQLKEMVALPLLYPELYQNFNITP
PRGVLFHGPPGTGKTLMARALAASCSSDERKITFFMRKGADILSKWVGEA
ERQLRLLFEEAKKHQPSIIFFDEIDGLAPVRSSKQEQIHASIVSTLLALM
DGMDNRGQVIVIGATNRPDAVDPALRRPGRFDREFYFPLPDVKARFKILQ
IQTRKWSSPLSTNFIDKLAFLTKGYGGADLRSLCTEAALISIQRSFPQIY
RSNDKLLVDPSKIKVKVSDFMLALKKIVPSSARSTGSSPQPLPELIKPLL
ADQLNNLKNKLDYMLNIKDTTFQRNTSLLQNFIDYEEYSGSYEFFESMAE
SQICKPRLLINGPKGNGQQYVGAAILNYLEEFNVQNLDLASLVSESSRTI
EAAVVQSFMEAKKRQPSVVFIPNLDIWINTIPENVILVLSGLFRSLQSNE
KILLLCLAENLDISEVKNGILSDFAFDKNIFQLHKPSKENITRYFSNLIE
LLKTKPSDIPMKKRRVKPLPELQKVELILTPEQIKKVSACLIEHCQNFTV
SQLEDVHSSVAKIIWKSKSAWDKTGTVDEIIKFLS
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 chain7uqj Chain B Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uqj The Saccharomyces cerevisiae Yta7 ATPase hexamer contains a unique bromodomain tier that functions in nucleosome disassembly.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		M549 R576
Binding residue
(residue number reindexed from 1)		M153 R180
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042393 histone binding
GO:0140658 ATP-dependent chromatin remodeler activity
GO:0140674 ATP-dependent histone chaperone activity
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006261 DNA-templated DNA replication
GO:0006325 chromatin organization
GO:0006334 nucleosome assembly
GO:0006337 nucleosome disassembly
GO:0006338 chromatin remodeling
GO:0034080 CENP-A containing chromatin assembly
GO:0045815 transcription initiation-coupled chromatin remodeling
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:2000219 positive regulation of invasive growth in response to glucose limitation
Cellular Component
GO:0000775 chromosome, centromeric region
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7uqj, PDBe:7uqj, PDBj:7uqj
PDBsum7uqj
PubMed36592926
UniProtP40340|ATAD2_YEAST ATPase histone chaperone YTA7 (Gene Name=YTA7)

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