Structure of PDB 6jq0 Chain E Binding Site BS01

Receptor Information
>6jq0 Chain E (length=577) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLGVDSSLSFESVGGLDNYINQLKEMVMLPLLYPEIFQRFNMQPPRGVLF
HGPPGTGKTLMARALAAACSSENKKVSFYMRKGADCLSKWVGEAERQLRL
LFEEAKSTQPSIIFFDQIDGLAPVRSSKQEQIHASIVSTLLALMDGMESR
GQVIIIGATNRPDAVDPALRRPGRFDREFYFPLPDRDARKKIIEIHTRNW
DPPVPEWLCSMLAEKSKGYGGADLRALCTEAALNSIKRTYPQLYRSTKRL
QIDPKTIKVKVKDFVMSMKRMIPSSERSSISPSKPLSPELKPLLNEAFQD
IEKTLQKLMPVASKLNPLEEVMYDDPKENDFEYQQRLETFETLRIYKPRF
LICGRKGLGQTALGPAILQQYEGVHVQSFDMSTLLQDSTQSIETSIIHLF
LEVRRHTPSIIYIPDIDNWLNVLPLTAITTFSSMLERLDFSDQILFLALS
SSPLSELHPQLREWFSSKQSVYSLQYPTRDSIIAFFQPILELIKASPTEL
PGGIPRKRRVLPELPLAPEDRLTPLKQLLIDSTTGFTVDQLLHLHSFLYQ
IIWNTKSEWNRNSVVDECERAVKEFMI
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 chain6jq0 Chain E Residue 1201 [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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PDB6jq0 Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone.
Resolution3.54 Å
Binding residue
(original residue number in PDB)		P309 G310 T311 G312 K313 T314 L315 I447 H451 G476
Binding residue
(residue number reindexed from 1)		P54 G55 T56 G57 K58 T59 L60 I192 H196 G221
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:0140665 ATP-dependent H3-H4 histone complex chaperone activity
Biological Process
GO:0006334 nucleosome assembly
GO:0006337 nucleosome disassembly
GO:0006338 chromatin remodeling
GO:0045815 transcription initiation-coupled chromatin remodeling
Cellular Component
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005694 chromosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jq0, PDBe:6jq0, PDBj:6jq0
PDBsum6jq0
PubMed31848341
UniProtO14114|ATD2_SCHPO ATPase histone chaperone abo1 (Gene Name=abo1)

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