Structure of PDB 6msd Chain A Binding Site BS01

Receptor Information
>6msd Chain A (length=394) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYSRQIKQVEDDIQQLLKKINELTGIKESDTGLAPPALWDLAADKQTLQS
EQPLQVARCTKIINADSEDPKYIINVKQFAKFVVDLSDQVAPTDIEEGMR
VGVDRNKYQIHIPLPPKIDPTVTMMQVEEKPDVTYSDVGGCKEQIEKLRE
VVETPLLHPERFVNLGIEPPKGVLLFGPPGTGKTLCARAVANRTDACFIR
VIGSELVQKYVGEGARMVRELFEMARTKKACLIFFDEIDAIGGARFDDGA
GGDNEVQRTMLELINQLDGFDPRGNIKVLMATNRPDTLDPALMRPGRLDR
KIEFSLPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVC
TEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN
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 chain6msd Chain A 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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PDB6msd Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D176 P218 G219 T220 G221 K222 T223 L224 I354 H358 G382 A383
Binding residue
(residue number reindexed from 1)		D137 P179 G180 T181 G182 K183 T184 L185 I315 H319 G343 A344
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0036402 proteasome-activating activity
Biological Process
GO:0001649 osteoblast differentiation
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:1901800 positive regulation of proteasomal protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0000932 P-body
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0008540 proteasome regulatory particle, base subcomplex
GO:0016020 membrane
GO:0022624 proteasome accessory complex
GO:0034774 secretory granule lumen
GO:0036464 cytoplasmic ribonucleoprotein granule
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6msd, PDBe:6msd, PDBj:6msd
PDBsum6msd
PubMed30479383
UniProtP35998|PRS7_HUMAN 26S proteasome regulatory subunit 7 (Gene Name=PSMC2)

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