Structure of PDB 6iy3 Chain O Binding Site BS03

Receptor Information
>6iy3 Chain O (length=580) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLDQTKDTRITHLLRQTNAFLDYYNVAHRIKEDIKKQPSILVGGTLKDYQ
IKGLQWMVSLFNNHLNGILADEMGLGKTIQTISLLTYLYEMKNIRGPYLV
IVPLSTLSNWSSEFAKWAPTLRTISFKGSPNERKAKQAKIRAGEFDVVLT
TFEYIIKERALLSKVKWVHMIIDEGHRMKNAQSKLSLTLNTHYHADYRLI
LTGTPLQNNLPELWALLNFVLPKIFNSVKSFDEWFNTPFDKIELSEEETL
LVIRRLHKVLRPFLLRRLKKDVEKELPDKVEKVVKCKMSALQQIMYQQML
KYRRLGFNNQIMQLKKICNHPFVFEEVEDQINPTRETNDDIWRVAGKFEL
LDRILPKLKATGHRVLIFFQMTQIMDIMEDFLRYINIKYLRLDGHTKSDE
RSELLRLFNAPDSEYLCFILSTRAGGLGLNLQTADTVIIFDTDWNPHQDL
QAQDRAHRIGQKNEVRILRLITTNSVEEVILERAYKKLDIDGKVIQAGKF
DNKSTSEEQEALLRSLLDAEEERRKKRELKDSEINEILARNDEEMAVLTR
MDEDRSKKEEKSRLLEKKREESESAAVYNG
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 chain6iy3 Chain O Residue 2000 [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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PDB6iy3 Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Resolution3.67 Å
Binding residue
(original residue number in PDB)		T766 Q771 M794 G795 L796 G797 K798 T799 I800
Binding residue
(residue number reindexed from 1)		T45 Q50 M73 G74 L75 G76 K77 T78 I79
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:6iy3, PDBe:6iy3, PDBj:6iy3
PDBsum6iy3
PubMed30867599
UniProtP22082|SNF2_YEAST Transcription regulatory protein SNF2 (Gene Name=SNF2)

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