Structure of PDB 7egp Chain A Binding Site BS03

Receptor Information
>7egp Chain A (length=750) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGIDTHTATDIYQTLIALNLDTTVNDCLDKLLNDECTESTRENALYDYYA
LQLLPLQKAVRGHVLQFEWHQNSLLTNTHPNFLSKIRNINVQDALLTNQL
YKNHELLKLERKKTEAVARLKSMNKSAINQYNRRQDKKNKRLKFGHRLIA
THTNLERDEQKRAEKKAKERLQALLLDQTKDTRITHLLRQTNAFLDYYNV
AHRIKEDIKKQPSILVGGTLKDYQIKGLQWMVSLFNNHLNGILADEMGLG
KTIQTISLLTYLYEMKNIRGPYLVIVPLSTLSNWSSEFAKWAPTLRTISF
KGSPNERKAKQAKIRAGEFDVVLTTFEYIIKERALLSKVKWVHMIIDEGH
RMKNAQSKLSLTLNTHYHADYRLILTGTPLQNNLPELWALLNFVLPKIFN
SVKSFDEWFNTPFDKIELSEEETLLVIRRLHKVLRPFLLRRLKKDVEKEL
PDKVEKVVKCKMSALQQIMYQQMLKYRGFNNQIMQLKKICNHPFVFEEVE
DQINPTRETNDDIWRVAGKFELLDRILPKLKATGHRVLIFFQMTQIMDIM
EDFLRYINIKYLRLDGHTKSDERSELLRLFNAPDSEYLCFILSTRAGGLG
LNLQTADTVIIFDTDWNPHQDLQAQDRAHRIGQKNEVRILRLITTNSVEE
VILERAYKKLDIDGKVIQAGKFDNKSTSEEQEALLRSLLDAEEERRKKRE
EELKDSEINEILARNDEEMAVLTRMDEDRSKKEKSRLREESESAAVYNGR
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 chain7egp Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7egp Structure of the SWI/SNF complex bound to the nucleosome and insights into the functional modularity.
Resolution6.9 Å
Binding residue
(original residue number in PDB)		T766 K768 Y770 G795 K798 T799 I800 N1171 Q1173 I1200
Binding residue
(residue number reindexed from 1)		T219 K221 Y223 G248 K251 T252 I253 N602 Q604 I631
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0042393 histone binding
GO:0140658 ATP-dependent chromatin remodeler activity

View graph for
Molecular Function
External links
PDB RCSB:7egp, PDBe:7egp, PDBj:7egp
PDBsum7egp
PubMed33907182
UniProtP22082|SNF2_YEAST Transcription regulatory protein SNF2 (Gene Name=SNF2)

[Back to BioLiP]