Structure of PDB 5qir Chain A Binding Site BS01
Receptor Information
>5qir 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 ID
J5D
InChI
InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
GEEDCVIVOYJQIC-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
CC(=O)NCc1cc(c(cc1)F)C
CACTVS 3.385
CC(=O)NCc1ccc(F)c(C)c1
OpenEye OEToolkits 2.0.6
Cc1cc(ccc1F)CNC(=O)C
Formula
C10 H12 F N O
Name
N-[(4-fluoro-3-methylphenyl)methyl]acetamide
ChEMBL
DrugBank
ZINC
PDB chain
5qir Chain A Residue 301 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
5qir
Covalent fragment group deposition
Resolution
1.43 Å
Binding residue
(original residue number in PDB)
G47 R49 C51 E174 S223 H224
Binding residue
(residue number reindexed from 1)
G42 R44 C46 E169 S218 H219
Annotation score
1
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:5qir
,
PDBe:5qir
,
PDBj:5qir
PDBsum
5qir
PubMed
UniProt
Q96DC9
|OTUB2_HUMAN Ubiquitin thioesterase OTUB2 (Gene Name=OTUB2)
[
Back to BioLiP
]