Structure of PDB 5l5v Chain Z Binding Site BS01

Receptor Information
>5l5v Chain Z (length=222) Species: 9606,559292 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFNPYGDNGGTILGIAGEDFAVLAGDTRNITDYSINSRYEPKVFDCGDNI
VMSANGFAADGDALVKRFKNSVKWYHFDHNDKKLSINSAARNIQHLLYSR
RFFPYYVYNIIAGLDEDGKGAVYSFDPVGSYQREQCRAGGAAASLIMPFL
DNQVNFKNQYEPGTNGKVKKPLKYLSVEEVIKLVRDSFTSATERHIQVGD
GLEILIVTKDGVRKEFYELKRD
Ligand information
Ligand ID6NV
InChIInChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24-,31+,32+,33+/m1/s1
InChIKeyRLIQDSPMEVUJOV-YRIWBWMDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](O)[C@H](C)CO)cc1
OpenEye OEToolkits 2.0.5CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O
CACTVS 3.385COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1
OpenEye OEToolkits 2.0.5CC1=C2C=CCC=C2C=C1C(=O)NC(C)C(=O)NC(Cc3ccc(cc3)OC)C(=O)NC(Cc4ccccc4)C(C(C)CO)O
FormulaC36 H43 N3 O6
Name
ChEMBL
DrugBank
ZINCZINC000584904837
PDB chain5l5v Chain Y Residue 301 [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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PDB5l5v A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S124 R137
Binding residue
(residue number reindexed from 1)		S124 R137
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Biological Process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0005839 proteasome core complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5l5v, PDBe:5l5v, PDBj:5l5v
PDBsum5l5v
PubMed27789522
UniProtP20618|PSB1_HUMAN Proteasome subunit beta type-1 (Gene Name=PSMB1);
P23724|PSB6_YEAST Proteasome subunit beta type-6 (Gene Name=PRE7)

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