Structure of PDB 6ef1 Chain H Binding Site BS01

Receptor Information
>6ef1 Chain H (length=254) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVTMMTVEEKPDVTYSDVGGCKDQIEKLREVVELPLLSPERFATLGIDPP
KGILLYGPPGTGKTLCARAVANRTDATFIRVIGSELVQKYVGEGARMVRE
LFEMARTKKACIIFFDEIDAVGGADNEVQRTMLELITQLDGFDPRGNIKV
MFATNRPNTLDPALLRPGRIDRKVEFSLPDLEGRANIFRIHSKSMSVERG
IRWELISRLCPNSTGAELRSVCTEAGMFAIRARRKVATEKDFLKAVDKVI
SGYK
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 chain6ef1 Chain H Residue 501 [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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PDB6ef1 Substrate-engaged 26Sproteasome structures reveal mechanisms for ATP-hydrolysis-driven translocation.
Resolution4.73 Å
Binding residue
(original residue number in PDB)		V211 P252 G253 T254 G255 K256 T257 I388 G416 A417 R420
Binding residue
(residue number reindexed from 1)		V18 P59 G60 T61 G62 K63 T64 I187 G215 A216 R219
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:6ef1, PDBe:6ef1, PDBj:6ef1
PDBsum6ef1
PubMed30309908
UniProtP33299|PRS7_YEAST 26S proteasome regulatory subunit 7 homolog (Gene Name=RPT1)

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