Structure of PDB 6ef2 Chain J Binding Site BS01

Receptor Information
>6ef2 Chain J (length=262) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSTYDMVGGLTKQIKEIKEVIELPVKHPELFESLGIAQPKGVILYGPPGT
GKTLLARAVAHHTDCKFIRVSGAELVQKYIGEGSRMVRELFVMAREHAPS
IIFMDEIDSIGSTRVEGSGGGDSEVQRTMLELLNQLDGFETSKNIKIIMA
TNRLDILDPALLRPGRIDRKIEFPPPSVAARAEILRIHSRKMNLTRGINL
RKVAEKMNGCSGADVKGVCTEAGMYALRERRIHVTQEDFELAVGKVMNKN
QETAISVAKLFK
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 chain6ef2 Chain J 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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PDB6ef2 Substrate-engaged 26Sproteasome structures reveal mechanisms for ATP-hydrolysis-driven translocation.
Resolution4.27 Å
Binding residue
(original residue number in PDB)
M149 G192 T193 G194 K195 T196 D248 E249 A356
Binding residue
(residue number reindexed from 1)
M6 G49 T50 G51 K52 T53 D105 E106 A213
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:6ef2, PDBe:6ef2, PDBj:6ef2
PDBsum6ef2
PubMed30309908
UniProtQ01939|PRS8_YEAST 26S proteasome regulatory subunit 8 homolog (Gene Name=RPT6)

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