Structure of PDB 4wgf Chain D Binding Site BS01

Receptor Information
>4wgf Chain D (length=202) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFTYKRLDKNDAAVLFVDHQAGLLSLVRDFSPDEFKNNVLALADIARFFN
LPTILTTSFEDGPNGPLVPELKEMFPQAPYIARPGNINAWDNEDFVKAVK
ATGKKQLIIAGVVTDVCVAFPTLSALEEGFDVFVVTDASGTFNPVVRDAA
WARMTAAGAQLMNWFSVGCELHRDWRNDIEGFGAILGGHLPAYANLIQSF
GT
Ligand information
Ligand IDROP
InChIInChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKeyQLNJFJADRCOGBJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(N)CC
OpenEye OEToolkits 1.5.0CCC(=O)N
CACTVS 3.341CCC(N)=O
FormulaC3 H7 N O
NamePROPIONAMIDE
ChEMBLCHEMBL1235716
DrugBankDB04161
ZINCZINC000001670847
PDB chain4wgf Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wgf Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Resolution2.34021 Å
Binding residue
(original residue number in PDB)		S59 V113 C118
Binding residue
(residue number reindexed from 1)		S58 V112 C117
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:4wgf, PDBe:4wgf, PDBj:4wgf
PDBsum4wgf
PubMed26184183
UniProtQ9I4D6

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