Structure of PDB 7uqj Chain E Binding Site BS02

Receptor Information
>7uqj Chain E (length=578) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGVDMNVNFDDIGGLDNYIDQLKEMVALPLLYPELYQNFNITPPRGVLFH
GPPGTGKTLMARALAASCSSDERKITFFMRKGADILSKWVGEAERQLRLL
FEEAKKHQPSIIFFDEIDGLAPVRSSKQEQIHASIVSTLLALMDGMDNRG
QVIVIGATNRPDAVDPALRRPGRFDREFYFPLPDVKARFKILQIQTRKWS
SPLSTNFIDKLAFLTKGYGGADLRSLCTEAALISIQRSFPQIYRSNDKLL
VDPSKIKVKVSDFMLALKKIVPSSARSTGSSPQPLPELIKPLLADQLNNL
KNKLDYMLNIKDTTFQRNTSLLQNFIDYEEYSSYEFFESMAESQICKPRL
LINGPKGNGQQYVGAAILNYLEEFNVQNLDLASLVSESSRTIEAAVVQSF
MEAKKRQPSVVFIPNLDIWINTIPENVILVLSGLFRSLQSNEKILLLCLA
ENLDISEVKNGILSDFAFDKNIFQLHKPSKENITRYFSNLIELLKTKPSD
IPMKKRRVKPLPELQKVKELILTPEQIKKVSACLIEHCQNFTVSQLEDVH
SSVAKIIWKSKSAWDKTGTVDEIIKFLS
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 E 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)		G416 P456 G457 T458 G459 K460 T461 L462 N562 I594 G623 A624
Binding residue
(residue number reindexed from 1)		G13 P53 G54 T55 G56 K57 T58 L59 N159 I191 G220 A221
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
View graph for
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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