Structure of PDB 7w54 Chain A Binding Site BS01

Receptor Information
>7w54 Chain A (length=513) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTIKATGDGACLFNAVSIGLSVEILSGRLDSQLDTPGYQALLDEFAKHH
PQFNPKSWKTLKEWLAYYNDTRDIELILAPVLFNLNQKYQDHLDEEILNE
LTNLVWKNKANIENGQAWFQLQNTGDLGEALFPKLENLDLKKDRAPLLDK
LREILKDYKLELTRENVKQFLTEKAKELLSALKKKISSDPHAFQRGYSCD
ELKGMTDALAISLVENREEDITDNRIKIRLENQEEHWNVLCNEEDSERFL
DSTPSRLKMTSLEAYRGDKQVSAPTSEEPGVFLRERTIDNPGLGNCAFYA
FAIGLVNIIQEEAKYNRRTMFDRWVGLDRSISGQYDEILKLNLEDPDKEL
LDRLQSSLRIVTYQYQIRELRNVCVFRNGNYNRLTGNSNFVNFAALYYGD
PLDTDSRFNPFADSVPILIKMANIDRDSVHPGHENDVLVPLFLDLLYGDT
TNPADITLETEPKSDSPIITAMNNITQDFFWGTHLDLNYLAEAFEVNLHV
LRNNSPIQEFVDI
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 chain7w54 Chain A Residue 601 [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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PDB7w54 Structural basis for the dual catalytic activity of the Legionella pneumophila ovarian tumor (OTU) domain deubiquitinase LotA.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		C13 E236 H237
Binding residue
(residue number reindexed from 1)		C12 E235 H236
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links