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Receptor Information

>3i61 Chain A (length=509) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SKLIHVPKEDNSKEVTLDSLLEEGVLDKEIHKAITRMEFPGLTPVQQKTI
KPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFDSQYMVKAVIVA
PTRDLALQIEAEVKKIHDMNYGLKKYACVSLVGGTDFRAAMNKMNKLRPN
IVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRLLEIGFRDDLETISGI
LNEKNSKSADNIKTLLFSATLDDKVQKLANNIMNKKECLFLDTVDKNEPE
AHERIDQSVVISEKFANSIFAAVEHIKKQIKERDSNYKAIIFAPTVKFTS
FLCSILKNEFKKDLPILEFHGKITQNKRTSLVKRFKKDESGILVCTDVGA
RGMDFPNVHEVLQIGVPSELANYIHRIGRTARSGKEGSSVLFICKDELPF
VRELEDAKNIVIAKQEKYEPSEEIKSEVLEAVTEEPEDISDIVISLISSY
RSCIKEYRFSERRILPEIASTYGVLLNDPQLKIPVSRRFLDKLGLSRSPI
GKAMFEIRD

Ligand ID

ADP

InChI

InChI=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

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(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 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

Formula

C10 H15 N5 O10 P2

Name

ADENOSINE-5'-DIPHOSPHATE

PDB chain

3i61 Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3i61 Structure of the Yeast DEAD box protein Mss116p reveals two wedges that crimp RNA
Resolution	2.1 Å
Binding residue (original residue number in PDB)	F126 G128 T130 Q133 G155 G157 K158 T159 D441 R469 S470
Binding residue (residue number reindexed from 1)	F39 G41 T43 Q46 G68 G70 K71 T72 D354 R382 S383
Annotation score	5

Enzyme Commision number

3.6.4.13: RNA helicase.

	Molecular Function
GO:0003676	nucleic acid binding
GO:0005524	ATP binding

PDB	RCSB:3i61, PDBe:3i61, PDBj:3i61
PDBsum	3i61
PubMed	19748356
UniProt	P15424\|MS116_YEAST ATP-dependent RNA helicase MSS116, mitochondrial (Gene Name=MSS116)

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Structure of PDB 3i61 Chain A Binding Site BS02