Structure of PDB 8juz Chain A Binding Site BS01

Receptor Information
>8juz Chain A (length=522) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDPMQLDSSVRFDSVGGLSNHIAALKEMVVFPLLYPEVFEKFKIQPPRGC
LFYGPPGTGKTLVARALANECSQGDKRVAFFMRKGADCLSKWVGESERQL
RLLFDQAYQMRPSIIFFDQIDGLAPVQIHSSIVSTLLALMDGLDSRGEIV
VIGATNRLDSIDPALRRPGRFDREFLFSLPDKEARKEILKIHTRDWNPKP
LDTFLEELAENCVGYCGADIKSICAEAALCALRRRYPQIYQLDLSSINIS
AKDFEVAMQKMIPASQRAVTSPGQALSTVVKPLLQNTVDKILEALQRVFP
HAEFQPMSFRPRILIVGEPGFGQGSHLAPAVIHALEKFTVYTLDIPVLFG
VSTTSPEETCAQVIREAKRTAPSIVYVPHIHVWWEIVGPTLKATFTTLLQ
NIPSFAPVLLLATSDKPHSALPEEVQELFIRDYGEIFNVQLDKEERTKFF
EDLILKQAAKVVDHERLKNLLKTVVKKSQNYNIFQLENLYAVISQCIYRH
RKDHDKTSLIQKMEQEVENFSC
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 chain8juz 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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PDB8juz Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Resolution4.29 Å
Binding residue
(original residue number in PDB)		P469 G470 T471 G472 K473 T474 L475 R478 A637 K640
Binding residue
(residue number reindexed from 1)		P56 G57 T58 G59 K60 T61 L62 R65 A218 K221
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:8juz, PDBe:8juz, PDBj:8juz
PDBsum8juz
PubMed37770645
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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