Structure of PDB 5qis Chain A Binding Site BS01

Receptor Information
>5qis Chain A (length=225) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLISEKCDILSILRDHPENRIYRRKIEELSKRFTAIRKTKGDRNCFYRA
LGYSYLESLLGKSREIFKFKERVLQTPNDLLAAGFEEHKFRNFFNAFYSV
VELVEKDGSVSSLLKVFNDQSASDHIVQFLRLLTSAFIRNRADFFRHFID
EEMDIKDFCTHEVEPMATECDHIQITALSQALSIALQVEYVDEMDTALNH
HVFPEAATPSVYLLYKTSHYNILYA
Ligand information
Ligand IDJ5G
InChIInChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)
InChIKeyCUYZUESBPHQWRI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(C)onc(NC(=O)C)c1
CACTVS 3.385CC(=O)Nc1cc(C)on1
OpenEye OEToolkits 2.0.6Cc1cc(no1)NC(=O)C
FormulaC6 H8 N2 O2
NameN-(5-methyl-1,2-oxazol-3-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000000152876
PDB chain5qis Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5qis Covalent fragment group deposition
Resolution1.53 Å
Binding residue
(original residue number in PDB)		G47 D48 R49 C51 S223
Binding residue
(residue number reindexed from 1)		G42 D43 R44 C46 S218
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0004843 cysteine-type deubiquitinase activity
GO:0005515 protein binding
GO:0008234 cysteine-type peptidase activity
GO:0016787 hydrolase activity
GO:0043130 ubiquitin binding
Biological Process
GO:0006508 proteolysis
GO:0016579 protein deubiquitination
GO:0035871 protein K11-linked deubiquitination
GO:0070536 protein K63-linked deubiquitination
GO:0071108 protein K48-linked deubiquitination
GO:2000780 negative regulation of double-strand break repair
Cellular Component
GO:0005634 nucleus

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5qis, PDBe:5qis, PDBj:5qis
PDBsum5qis
PubMed
UniProtQ96DC9|OTUB2_HUMAN Ubiquitin thioesterase OTUB2 (Gene Name=OTUB2)

[Back to BioLiP]