Structure of PDB 8bs9 Chain A Binding Site BS03

Receptor Information
>8bs9 Chain A (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKVLFPTERLSLRWERVFRVGAGLHNLGNTCFLNATIQCLTYTPPLANYL
LSKEHARSCHQGSFCMLCVMQNHIVQAFANSGNAIKPVSFIRDLKKIARH
FRFGNQEDAHEFLRYTIDAMQKACLNGCAKLDRQTQATTLVHQIFGGYLR
SRVKCSVCKSVSDTYDPYLDVALEIRQAANIVRALELFVKADVLSGENAY
MCAKCKKKVPASKRFTIHRTSNVLTLSLKRFANFSGGKITKDVGYPEFLN
IRPYMSQNNGDPVMYGLYAVLVHSGYSCHAGHYYCYVKASNGQWYQMNDS
LVHSSNVKVVLNQQAYVLFYLRIP
Ligand information
Ligand IDAYE
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKeyVVJKKWFAADXIJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCC=C
OpenEye OEToolkits 1.5.0C=CCN
ACDLabs 10.04C=C\CN
FormulaC3 H7 N
Nameprop-2-en-1-amine;
ALLYLAMINE
ChEMBLCHEMBL57286
DrugBank
ZINCZINC000017654097
PDB chain8bs9 Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bs9 Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N126 N129 C131 Q206
Binding residue
(residue number reindexed from 1)		N26 N29 C31 Q106
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.-
3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0004843 cysteine-type deubiquitinase activity
Biological Process
GO:0016579 protein deubiquitination

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Molecular Function
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Biological Process
External links
PDB RCSB:8bs9, PDBe:8bs9, PDBj:8bs9
PDBsum8bs9
PubMed37443395
UniProtQ9P275|UBP36_HUMAN Ubiquitin carboxyl-terminal hydrolase 36 (Gene Name=USP36)

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