Structure of PDB 6msk Chain D Binding Site BS01

Receptor Information
>6msk Chain D (length=380) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLYSRYKKLQQELEFLEVQEEYIKDEQKNLKKEFLHAQEEVKRIQSIPLV
IGQFLEAVDQNTAIVGSTTGSNYYVRILSTIDRELLKPNASVALHKHSNA
LVDVLPPEADSSIMMLTSDQKPDVMYADIGGMDIQKQEVREAVELPLTHF
ELYKQIGIDPPRGVLMYGPPGCGKTMLAKAVAHHTTAAFIRVVGSEFVQK
YLGEGPRMVRDVFRLAKENAPAIIFIDEIDAIATKRFDAQTGADREVQRI
LLELLNQMDGFDQNVNVKVIMATNRADTLDPALLRPGRLDRKIEFPLPDR
RQKRLIFSTITSKMNLSEEVDLEDYVARPDKISGADINSICQESGMLAVR
ENRYIVLAKDFEKAYKTVIKKDEQEHEFYK
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 chain6msk Chain C 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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PDB6msk Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R323 R326
Binding residue
(residue number reindexed from 1)		R285 R288
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:6msk, PDBe:6msk, PDBj:6msk
PDBsum6msk
PubMed30479383
UniProtP43686|PRS6B_HUMAN 26S proteasome regulatory subunit 6B (Gene Name=PSMC4)

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