Structure of PDB 8juw Chain A Binding Site BS01

Receptor Information
>8juw Chain A (length=523) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVDPMQLDSSVRFDSVGGLSNHIAALKEMVVFPLLYPEVFEKFKIQPPRG
CLFYGPPGTGKTLVARALANECSQGDKRVAFFMRKGADCLSKWVGESERQ
LRLLFDQAYQMRPSIIFFDQIDGLAPVQIHSSIVSTLLALMDGLDSRGEI
VVIGATNRLDSIDPALRRPGRFDREFLFSLPDKEARKEILKIHTRDWNPK
PLDTFLEELAENCVGYCGADIKSICAEAALCALRRRYPQIYQLDLSSINI
SAKDFEVAMQKMIPASQRAVTSPGQALSTVVKPLLQNTVDKILEALQRVF
PHAEFQPMSFRPRILIVGEPGFGQGSHLAPAVIHALEKFTVYTLDIPVLF
GVSTTSPEETCAQVIREAKRTAPSIVYVPHIHVWWEIVGPTLKATFTTLL
QNIPSFAPVLLLATSDKPHSALPEEVQELFIRDYGEIFNVQLDKEERTKF
FEDLILKQAAKVVDHERLKNLLKTVVKKSQNYNIFQLENLYAVISQCIYR
HRKDHDKTSLIQKMEQEVENFSC
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 chain8juw Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8juw Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Resolution3.79 Å
Binding residue
(original residue number in PDB)		P469 G470 G472 K473 T474 L475 I607 H611 G636 K640
Binding residue
(residue number reindexed from 1)		P57 G58 G60 K61 T62 L63 I189 H193 G218 K222
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:8juw, PDBe:8juw, PDBj:8juw
PDBsum8juw
PubMed37770645
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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