Structure of PDB 5m32 Chain e Binding Site BS01

Receptor Information
>5m32 Chain e (length=361) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FLEVQEEYIKDEQKNLKKEFLHAQEEVKRIQSIPLVIGQFLEAVDQNTAI
VGSTTGSNYYVRILSTIDRELLKPNASVALHKHSNALVDVLPPEAMLTSD
QKPDVMYADIGGMDIQKQEVREAVELPLTHFELYKQIGIDPPRGVLMYGP
PGCGKTMLAKAVAHHTTAAFIRVVGSEFVQKYLGEGPRMVRDVFRLAKEN
APAIIFIDEIDAIATKRFDAQTGADREVQRILLELLNQMDGFDQNVNVKV
IMATNRADTLDPALLRPGRLDRKIEFPLPDRRQKRLIFSTITSKMNLSEE
VDLEDYVARPDKISGADINSICQESGMLAVRENRYIVLAKDFEKAYKTVI
KKDEQEHEFYK
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 e 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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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)		I167 G168 G209 C210 K212 T213 M214 G372 A373
Binding residue
(residue number reindexed from 1)		I110 G111 G152 C153 K155 T156 M157 G315 A316
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:0001824 blastocyst development
GO:0006508 proteolysis
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:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0008540 proteasome regulatory particle, base subcomplex
GO:0016020 membrane
GO:0016234 inclusion body
GO:0022624 proteasome accessory complex
GO:0031597 cytosolic proteasome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5m32, PDBe:5m32, PDBj:5m32
PDBsum5m32
PubMed28541292
UniProtP43686|PRS6B_HUMAN 26S proteasome regulatory subunit 6B (Gene Name=PSMC4)

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