Structure of PDB 6gej Chain M Binding Site BS03

Receptor Information
>6gej Chain M (length=688) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVVDVPVPSLLRGNLRTYQKQGLNWLASLYNNHTNGILADEMGLGKTIQT
ISLLAYLACEKENWGPHLIVVPTSVLLNWEMEFKRFAPGFKVLTYYGSPQ
QRKEKRKGWNKPDAFHVCIVSYQLVVQDQHSFKRKRWQYMVLDEAHNIKN
FRSTRWQALLNFNTQRRLLLTGTPLQNNLAELWSLLYFLMPQTVIDGKKV
SGFAETKKTVAKLHQVLRPYLLRRLKADVEKQMPAKYEHIVYCKLSKRQR
FLYDDFMSRAQTKATLASGNFMSIVNCLMQLRKVCNHPNLFEVRPILTSF
VLEHCVASDYKDVERTLLKLFKKNNQVNRVDLDFLNLVFTLNDKDLTSYH
AEEISKLTCVKNFVEEVNKLRETNKQLQEEFGEASFLNFQDANQYFKYSN
KQKLEGTVDMLNFLKMVNKLRCDRRPIFGKNLIDLLTKDRRVKYDKSSII
DNELIKPLQTRVLDNRKIIDTFAVLTPSAVSLDMRKLALGLNDDSSVGEN
TRLKVMQNCFEVSNPLHQLQTKLTIAFPDKSLLQYDCGKLQKLAILLQQL
KDNGHRALIFTQMTKVLDVLEQFLNYHGYLYMRLDGATKIEDRQILTERF
NTDSRITVFILSSRSGGLGINLTGADTVIFYDSDWNPAMDKQCQDRCHRI
GQTRDVHIYRFVSEHTIESNILKKANQKRQLDNVVIQE
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 M 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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PDB6gej Structure and dynamics of the yeast SWR1-nucleosome complex.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		N695 Q700 G724 G726 K727 T728 I729 R1357 I1358
Binding residue
(residue number reindexed from 1)		N14 Q19 G43 G45 K46 T47 I48 R649 I650
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004386 helicase activity
GO:0005198 structural molecule activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042393 histone binding
GO:0060090 molecular adaptor activity
GO:0140658 ATP-dependent chromatin remodeler activity
Biological Process
GO:0000725 recombinational repair
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:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6gej, PDBe:6gej, PDBj:6gej
PDBsum6gej
PubMed30309918
UniProtQ05471|SWR1_YEAST Helicase SWR1 (Gene Name=SWR1)

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