Structure of PDB 5m32 Chain g Binding Site BS02

Receptor Information
>5m32 Chain g (length=363) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVLRVTHELQAMKDKIKENSEKIKVNKTLPYLVSNVIELLDVDKCAVIKT
STRQTYFLPVIGLVDAEKLKPGDLVGVNKDSYLILETLPTEYDSRVKAME
VDERPTEQYSDIGGLDKQIQELVEAIVLPMNHKEKFENLGIQPPKGVLMY
GPPGTGKTLLARACAAQTKATFLKLAGPQLVQMFIGDGAKLVRDAFALAK
EKAPSIIFIDELDAIGTKRFDSEKAGDREVQRTMLELLNQLDGFQPNTQV
KVIAATNRVDILDPALLRSGRLDRKIEFPMPNEEARARIMQIHSRKMNVS
PDVNYEELARCTDDFNGAQCKAVCVEAGMIALRRGATELTHEDYMEGILE
VQAKKKANLQYYA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5m32 Chain g Residue 502 [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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PDB5m32 Long-range allosteric regulation of the human 26S proteasome by 20S proteasome-targeting cancer drugs.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		D187 I188 G189 T231 G232 K233 T234 L235 I365 H369 G393 K397
Binding residue
(residue number reindexed from 1)		D111 I112 G113 T155 G156 K157 T158 L159 I289 H293 G317 K321
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:5m32, PDBe:5m32, PDBj:5m32
PDBsum5m32
PubMed28541292
UniProtP17980|PRS6A_HUMAN 26S proteasome regulatory subunit 6A (Gene Name=PSMC3)

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