Structure of PDB 6gej Chain R Binding Site BS01

Receptor Information
>6gej Chain R (length=411) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETPPIVIDNGSYEIKFGPSTNKKPFRALNALAKDKFGTSYLSNHIKNIKD
ISSITFRRPHELGQLTLWELESCIWDYCLFNPSEFDGFDLKEGKGHHLVA
SESCMTLPELSKHADQVIFEEYEFDSLFKSPVAVFVPFTKSYKGEMRTIS
GKDESDYHDFQLVIDSGFNCTWIIPVLKGIPYYKAVKKLDIGGRFLTGLL
KETLSFRHYNMMDETILVNNIKEQCLFVSPVSYFDSFKTKDKHALEYVLP
DFQTSFLGYVRNPRKENVPLPEDAQIITLTDELFTIPETFFHPEISQITK
PGIVEAILESLSMLPEIVRPLMVGNIVCTGGNFNLPNFAQRLAAELQRQL
PTDWTCHVSVPEGDCALFGWEVMSQFAKTDSYRKARVTREEYYEHGPDWC
TKHRFGYQNWI
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 chain6gej Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gej Structure and dynamics of the yeast SWR1-nucleosome complex.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G11 Y13 F195 E250 G358
Binding residue
(residue number reindexed from 1)		G10 Y12 F168 E223 G331
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0031491 nucleosome binding
Biological Process
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0000785 chromatin
GO:0000812 Swr1 complex
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0034399 nuclear periphery
GO:0043232 intracellular non-membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6gej, PDBe:6gej, PDBj:6gej
PDBsum6gej
PubMed30309918
UniProtQ12509|ARP6_YEAST Actin-like protein ARP6 (Gene Name=ARP6)

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