Structure of PDB 6s47 Chain Bi Binding Site BS03

Receptor Information
>6s47 Chain Bi (length=952) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISQFLSKIPECQSITDCKNQIKLIIEEFGKEGNSTGEKIEEWKIVDVLSK
FIKPKNPSLVRESAMLIISNIAQFFSGKPPQEAYLLPFFNVALDCISDKE
NTVKRAAQHAIDSLLNCFPMEALTCFVLPTILDYLSSGAKWQAKMAALSV
VDRIREDSANDLLELTFKDAVPVLTDVATDFKPELAKQGYKTLLDYVSIL
DNLDLSPRYKLIVDTLQDPSKVPESVKSLSSVTFVAEVTEPSLSLLVPIL
NRSLNLSSSSQEQLRQTVIVVENLTRLVNNRNEIESFIPLLLPGIQKVVD
TASLPEVRELAEKALNVLKEDDEADKENKFSGRLTLEEGRDFLLDHLKDI
KADDDCFVKPYMNDETVIKYMSKILTVDSNVNDWKRLEDFLTAVFGGSDS
QREFVKQDFIEIVNTDFSLAYGSRMLLNKTNLRLLKGHRYGLCGRNGAGK
STLMRAIANGQLDGFPDKDTLRTCFVEHKLQGEEGDLDLVSFIALDEELQ
STSREEIAAALESVGFDEERRAQTVGSLSGGWKMKLELARAMLQKADILL
LDQPTNHLDVSNVKWLEEYLLEHTDITSLIVSHDSGFLDTVCTDIIHYEN
KKLAYYKGNLAAFVEQKPEAKSYYTLTDSNAQMRFPPPGILTGVKSNTRA
VAKMTDVTFSYPGAQKPSLSHVSCSLSLSSRVACLGPNGAGKSTLIKLLT
GELVPNEGKVEKHPNLRIGYIAQHALQHVNEHKEKTANQYLQWRYQFGDD
REVLLKESRKISEDEKEMMTKEIDIDDGRGKRAIEAIVGRQKLKKSFQYE
VKWKYWKPKYNSWVPKDVLVEHGFEKLVQKFDDHEASREGLGYRELIPSV
ITKHFEDVGLDSEIANHTPLGSLSGGQLVKVVIAGAMWNNPHLLVLDQPT
NYLDRDSLGALAVAIRDWSGGVVMISHNNEFVGALCPEQWIVENGKMVQK
GS
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6s47 Chain Bi Residue 1201 [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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PDB6s47 A role for the Saccharomyces cerevisiae ABCF protein New1 in translation termination/recycling.
Resolution3.28 Å
Binding residue
(original residue number in PDB)		S687 L688 S689 G691 H717 Y821 K826 N848 G849 A850 G851 K852 S853 T854 Q883
Binding residue
(residue number reindexed from 1)		S527 L528 S529 G531 H557 Y661 K666 N688 G689 A690 G691 K692 S693 T694 Q723
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6s47, PDBe:6s47, PDBj:6s47
PDBsum6s47
PubMed31299085
UniProtQ08972|NEW1_YEAST [NU+] prion formation protein 1 (Gene Name=NEW1)

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