Structure of PDB 8h3h Chain A Binding Site BS01

Receptor Information
>8h3h Chain A (length=539) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASLADVDPMQLDSSVRFDSVGGLSNHIAALKEMVVFPLLYPEVFEKFKI
QPPRGCLFYGPPGTGKTLVARALANECSQGDKRVAFFMRKGADCLSKWVG
ESERQLRLLFDQAYQMRPSIIFFDQIDGLAPVQIHSSIVSTLLALMDGLD
SRGEIVVIGATNRLDSIDPALRRPGRFDREFLFSLPDKEARKEILKIHTR
DWNPKPLDTFLEELAENCVGYCGADIKSICAEAALCALRRRYPQIYTTSE
KLQLDLSSINISAKDFEVAMQKMIPASQRAVTSPGQALSTVVKPLLQNTV
DKILEALQRVFPHAEFQPMSFRPRILIVGEPGFGQGSHLAPAVIHALEKF
TVYTLDIPVLFGVSTTSPEETCAQVIREAKRTAPSIVYVPHIHVWWEIVG
PTLKATFTTLLQNIPSFAPVLLLATSDKPHSALPEEVQELFIRDYGEIFN
VQLPDKEERTKFFEDLILKQAAKPPILVVDHERLKNLLKTVVKKSQNYNI
FQLENLYAVISQCIYRHRKDHDKTSLIQKMEQEVENFSC
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 chain8h3h 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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PDB8h3h Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		S427 G429 G470 G472 K473 T474 L475 H611 G636 A637 K640
Binding residue
(residue number reindexed from 1)		S20 G22 G63 G65 K66 T67 L68 H198 G223 A224 K227
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:8h3h, PDBe:8h3h, PDBj:8h3h
PDBsum8h3h
PubMed37770645
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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