Structure of PDB 7uqi Chain B Binding Site BS01

Receptor Information
>7uqi Chain B (length=579) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDMNVNFDDIGGLDNYIDQLKEMVALPLLYPELYQNFNITPPRGVLFHGP
PGTGKTLMARALAASCSSDERKITFFMRKGADILSKWVGEAERQLRLLFE
EAKKHQPSIIFFDEIDGLAPVRSSKQEQIHASIVSTLLALMDGMDNRGQV
IVIGATNRPDAVDPALRRPGRFDREFYFPLPDVKARFKILQIQTRKWSSP
LSTNFIDKLAFLTKGYGGADLRSLCTEAALISIQRSFPQIYRSNDKLLVD
PSKIKVKVSDFMLALKKIVPSSARSTGSSPQPLPELIKPLLADQLNNLKN
KLDYMLNIKDTTFQRNTSLLQNFIDYEEYSSFRSYEFFESMAESQICKPR
LLINGPKGNGQQYVGAAILNYLEEFNVQNLDLASLVSESSRTIEAAVVQS
FMEAKKRQPSVVFIPNLDIWINTIPENVILVLSGLFRSLQSNEKILLLCL
AENLDISEVKNGILSDFAFDKNIFQLHKPSKENITRYFSNLIELLKTKPS
DIPMKKRRVKPLPELQKVKELILTPEQIKKVSACLIEHCQNFTVSQLEDV
HSSVAKIIWKSKSAWDKTGTVDEIIKFLS
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7uqi 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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PDB7uqi The Saccharomyces cerevisiae Yta7 ATPase hexamer contains a unique bromodomain tier that functions in nucleosome disassembly.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		I415 G416 G457 T458 G459 K460 T461 L462 I594 G623 A624
Binding residue
(residue number reindexed from 1)		I10 G11 G52 T53 G54 K55 T56 L57 I189 G218 A219
Annotation score5
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:7uqi, PDBe:7uqi, PDBj:7uqi
PDBsum7uqi
PubMed36592926
UniProtP40340|ATAD2_YEAST ATPase histone chaperone YTA7 (Gene Name=YTA7)

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