Structure of PDB 8juw Chain E Binding Site BS01

Receptor Information
>8juw Chain E (length=528) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVRFDSVGGLSNHIAALKEMVVFPLLYPEVFEKFKIQPPRGCLFYGPPGT
GKTLVARALANECSQGDKRVAFFMRKGADCLSKWVGESERQLRLLFDQAY
QMRPSIIFFDQIDGLAPVRSSRQDQIHSSIVSTLLALMDGLDSRGEIVVI
GATNRLDSIDPALRRPGRFDREFLFSLPDKEARKEILKIHTRDWNPKPLD
TFLEELAENCVGYCGADIKSICAEAALCALRRRYPQIYTTSEKLQLDLSS
INISAKDFEVAMQKMIPASQRAVTSPGQALSTVVKPLLQNTVDKILEALQ
RVFPHAEYQPMSFRPRILIVGEPGFGQGSHLAPAVIHALEKFTVYTLDIP
VLFGVSTTSPEETCAQVIREAKRTAPSIVYVPHIHVWWEIVGPTLKATFT
TLLQNIPSFAPVLLLATSDKPHSALPEEVQELFIRDYGEIFNVQLPDKEE
RTKFFEDLILKQAAKPPHERLKNLLKTVVKKSQNYNIFQLENLYAVISQC
IYRHRKDHDKTSLIQKMEQEVENFSCSR
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8juw Chain E 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)		G470 G472 K473 T474 N575 I607 H611 G636
Binding residue
(residue number reindexed from 1)		G49 G51 K52 T53 N154 I186 H190 G215
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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