Structure of PDB 8f7k Chain R Binding Site BS01

Receptor Information
>8f7k Chain R (length=230) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQMAYDRAITVFSPDGRLFQVEYAREAVKKGSTALGMKFANGVLLISDKK
VRSRLIEQNSIEKIQLIDDYVAAVTSGLVADARVLVDFARISAQQEKVTY
GSLVNIENLVKRVADQMQQYTQYGGVRPYGVSLIFAGIDQIGPRLFDCDP
AGTINEYKATAIGSGKDAVVSFLEREYKENLPEKEAVTLGIKALKSSLEE
GEELKAPEIASITVGNKYRIYDQEEVKKFL
Ligand information
Ligand IDXIB
InChIInChI=1S/C20H22N2O6/c1-13(19(25)26)21-18(24)17(11-14-7-9-16(23)10-8-14)22-20(27)28-12-15-5-3-2-4-6-15/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,27)(H,25,26)/t13-,17+/m1/s1
InChIKeyLKRYTYVDKGHSPS-DYVFJYSZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2
CACTVS 3.385C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc2ccccc2
CACTVS 3.385C[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(O)=O
ACDLabs 12.01Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NC(C)C(=O)O)cc1
FormulaC20 H22 N2 O6
NameN-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine
ChEMBL
DrugBank
ZINCZINC000004762089
PDB chain8f7k Chain R Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8f7k High resolution structures define divergent and convergent mechanisms of archaeal proteasome activation.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		A30 K33 G34 S35 K66 S79 G80 L81 V82
Binding residue
(residue number reindexed from 1)		A27 K30 G31 S32 K63 S76 G77 L78 V79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004298 threonine-type endopeptidase activity
Biological Process
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0010498 proteasomal protein catabolic process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005737 cytoplasm
GO:0005839 proteasome core complex
GO:0019773 proteasome core complex, alpha-subunit complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8f7k, PDBe:8f7k, PDBj:8f7k
PDBsum8f7k
PubMed37454196
UniProtP25156|PSA_THEAC Proteasome subunit alpha (Gene Name=psmA)

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