Structure of PDB 8cvt Chain n Binding Site BS01

Receptor Information
>8cvt Chain n (length=205) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTIMAVQFDGGVVLGADSRTTTGSYIANRVTDKLTPIHDRIFCCRSGSAA
DTQAVADAVTYQLGFHSIELNEPPLVHTAASLFKEMCYRYREDLMAGIII
AGWDPQEGGQVYSVPMGGMMVRQSFAIGGSGSSYIYGYVDATYREGMTKE
ECLQFTANALALAMERDGSSGGVIRLAAIAESGVERQVLLGDQIPKFAVA
TLPPA
Ligand information
Ligand IDLDZ
InChIInChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
InChIKeyTZYWCYJVHRLUCT-VABKMULXSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)C=O
CACTVS 3.370CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
OpenEye OEToolkits 1.7.6CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
ACDLabs 12.01O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
FormulaC26 H41 N3 O5
NameN-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide
ChEMBLCHEMBL64925
DrugBank
ZINCZINC000013476439
PDB chain8cvt Chain n Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cvt Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		T2 T21 T22 R46 G48 S49 A50
Binding residue
(residue number reindexed from 1)		T1 T20 T21 R45 G47 S48 A49
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004298 threonine-type endopeptidase activity
GO:0005515 protein binding
GO:0045296 cadherin binding
Biological Process
GO:0006508 proteolysis
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0005839 proteasome core complex
GO:0019774 proteasome core complex, beta-subunit complex
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cvt, PDBe:8cvt, PDBj:8cvt
PDBsum8cvt
PubMed35858375
UniProtP28072|PSB6_HUMAN Proteasome subunit beta type-6 (Gene Name=PSMB6)

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