Structure of PDB 5t0i Chain F Binding Site BS02

Receptor Information
>5t0i Chain F (length=366) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THELQAMKDKIKENSEKIKVNKTLPYLVSNVIELLDVDPNDSQRKGKCAV
IKTSTRQTYFLPVIGLVDAEKLKPGDLVGVNKDSYLILETLPTEYDSRVK
AMEVDERPTEQYSDIGGLDKQIQELVEAIVLPMNHKEKFENLGIQPPKGV
LMYGPPGTGKTLLARACAAQTKATFLKLAGPQLVQMFIGDGAKLVRDAFA
LAKEKAPSIIFIDELDAIGTKRFDSEKAGDREVQRTMLELLNQLDGFQPN
TQVKVIAATNRVDILDPALLRSGRLDRKIEFPMPNEEARARIMQIHSRKM
NVSPDVNYEELARCTDDFNGAQCKAVCVEAGMIALRRGATELTHEDYMEG
ILEVQAKKKANLQYYA
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 chain5t0i Chain F 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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PDB5t0i Structural basis for dynamic regulation of the human 26S proteasome.
Resolution8.0 Å
Binding residue
(original residue number in PDB)		G230 T231 G232 K233 T234 L235 D286 N333 H369 G393 A394 K397
Binding residue
(residue number reindexed from 1)		G157 T158 G159 K160 T161 L162 D213 N260 H296 G320 A321 K324
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
GO:0042802 identical protein binding
Biological Process
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0043921 modulation by host of viral transcription
GO:0045944 positive regulation of transcription by RNA polymerase II
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: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:5t0i, PDBe:5t0i, PDBj:5t0i
PDBsum5t0i
PubMed27791164
UniProtP17980|PRS6A_HUMAN 26S proteasome regulatory subunit 6A (Gene Name=PSMC3)

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