Structure of PDB 3qb0 Chain B Binding Site BS01

Receptor Information
>3qb0 Chain B (length=430) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYGGDEVSAVVIDPGSYTTNIGYSGSDFPQSILPSVYGKYTADEGNKKIF
SEQSIGIPRKDYELKPIIENGLVIDWDTAQEQWQWALQNELYLNSNSGIP
ALLTEPVWNSTENRKKSLEVLLEGMQFEACYLAPTSTCVSFAAGRPNCLV
VDIGHDTCSVSPIVDGMTLSKSTRRNFIAGKFINHLIKKALEPKEIIPLF
AIKQRKPEFIKKTFDYEVDKSLYDYANNRGFFQECKETLCHICPTKTLEE
TKTELSSTAKRSIESPWNEEIVFDNETRYGFAEELFLPKEDDIPANWPRS
NSGVVKTWRNDYVPLKRTKPNELIGLADLVYSSIMSSDVDLRATLAHNVV
LTGGTSSIPGLSDRLMTELNKILPSLKFRILTTGHTIERQYQSWLGGSIL
TSLGTFHQLWVGKKEYEEVGVERLLNDRFR
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 chain3qb0 Chain B Residue 490 [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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PDB3qb0 Structural biochemistry of nuclear actin-related proteins 4 and 8 reveals their interaction with actin.
Resolution3.404 Å
Binding residue
(original residue number in PDB)		G22 S23 Y24 T25 G161 H162 Q240 K243 G413 T414 S416 Q449
Binding residue
(residue number reindexed from 1)		G15 S16 Y17 T18 G154 H155 Q233 K236 G354 T355 S357 Q390
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0042393 histone binding
Biological Process
GO:0006281 DNA repair
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006351 DNA-templated transcription
GO:0006355 regulation of DNA-templated transcription
GO:0006357 regulation of transcription by RNA polymerase II
GO:0051382 kinetochore assembly
Cellular Component
GO:0000785 chromatin
GO:0000812 Swr1 complex
GO:0005634 nucleus
GO:0016514 SWI/SNF complex
GO:0031011 Ino80 complex
GO:0035267 NuA4 histone acetyltransferase complex
GO:0043232 intracellular non-membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3qb0, PDBe:3qb0, PDBj:3qb0
PDBsum3qb0
PubMed21499228
UniProtP80428|ARP4_YEAST Actin-related protein 4 (Gene Name=ARP4)

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