Structure of PDB 7zi4 Chain G Binding Site BS03

Receptor Information
>7zi4 Chain G (length=682) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKGYQLKGMNWLANLYEQGINGILADEMGLGKTVQSIALLAHLAERENIW
GPFLIISPASTLNNWHQEFTRFVPKFKVLPYWGNPHDRKVIRRFWSAPFH
VVITSYQLVVQDVKYFQRVKWQYMVLDEAQALKSSSSVRWKILLQFQCRN
RLLLTGTPIQNTMAELWALLHFIMPTLFDSHEEFNEWENQLSRLHMILKP
FMLRRIKKDVENELSDKIEILMYCQLTSRQKLLYQALKNLVMQFRKVCNH
PELFERQETWSPFHISLKPYHISKFIYRHGQIRVFNHSRDRWLRVLSPFA
PDYIQRSLFHRKGINEESCFSFLRFIDISPAEMANLMLQGLLARWLALFL
SLKASYRLHQLRSWGAPEGESHQRYLRNKDFLLGVNFPLSFPNLCSCPLL
KSLVFSSHCKAVSGYSDQVVHQRRSATSSLRRCLLTELPSFLCVASPRVT
AVPLDSYCNDRSAEYERRVLKEGGSLAAKQCLLNGAPELAADWLNRRSQF
FPEPAGGLWSIRPQNGWSFIRIPGKESLITDSGKLYALDVLLTRLKSQGH
RVLIYSQMTRMIDLLEEYMVYRKHTYMRLDGSSKISERRDMVADFQNRND
IFVFLLSTRAGGLGINLTAADTVIFYDSDWNPTVDQQAMDRAHRLGQTKQ
VTVYRLICKGTIEERILQRAKEKSEIQRMVIS
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 chain7zi4 Chain G Residue 1601 [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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PDB7zi4 Cryo-EM structure of the human INO80 complex bound to a WT nucleosome
Resolution3.2 Å
Binding residue
(original residue number in PDB)		E544 M545 G546 G548 K549 T550 V551 R1212
Binding residue
(residue number reindexed from 1)		E27 M28 G29 G31 K32 T33 V34 R644
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003779 actin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042393 histone binding
GO:0043014 alpha-tubulin binding
GO:0140658 ATP-dependent chromatin remodeler activity
Biological Process
GO:0000070 mitotic sister chromatid segregation
GO:0000723 telomere maintenance
GO:0000724 double-strand break repair via homologous recombination
GO:0006275 regulation of DNA replication
GO:0006281 DNA repair
GO:0006282 regulation of DNA repair
GO:0006302 double-strand break repair
GO:0006310 DNA recombination
GO:0006338 chromatin remodeling
GO:0006351 DNA-templated transcription
GO:0010571 positive regulation of nuclear cell cycle DNA replication
GO:0030307 positive regulation of cell growth
GO:0033044 regulation of chromosome organization
GO:0034644 cellular response to UV
GO:0045739 positive regulation of DNA repair
GO:0045893 positive regulation of DNA-templated transcription
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0045995 regulation of embryonic development
GO:0051225 spindle assembly
GO:0051301 cell division
GO:0051726 regulation of cell cycle
GO:0060382 regulation of DNA strand elongation
GO:0070914 UV-damage excision repair
GO:0071479 cellular response to ionizing radiation
GO:1904507 positive regulation of telomere maintenance in response to DNA damage
GO:2000045 regulation of G1/S transition of mitotic cell cycle
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005819 spindle
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0016604 nuclear body
GO:0031011 Ino80 complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zi4, PDBe:7zi4, PDBj:7zi4
PDBsum7zi4
PubMed
UniProtQ9ULG1|INO80_HUMAN Chromatin-remodeling ATPase INO80 (Gene Name=INO80)

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