Structure of PDB 3rda Chain X Binding Site BS02

Receptor Information
>3rda Chain X (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNPLVYLDVDANGKPLGRVVLELKADVVPKTAENFRALCTGEKGFGYKGS
TFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDENFTLKHVGPGVLSMA
NAGPNTNGSQFFICTIKTDWLDGKHVVFGHVIEGMDVVKKIESFGSKSGR
TSKKIVITDCGQLS
Ligand information
Ligand IDMIO
InChIInChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3
InChIKeyFNXYWHTZDAVRTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1cc(N)on1
OpenEye OEToolkits 1.7.0Cc1cc(on1)N
ACDLabs 12.01n1oc(N)cc1C
FormulaC4 H6 N2 O
Name3-methyl-1,2-oxazol-5-amine
ChEMBL
DrugBank
ZINCZINC000001604212
PDB chain3rda Chain X Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rda Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Resolution1.07 Å
Binding residue
(original residue number in PDB)		R97 Q105 N144 H168
Binding residue
(residue number reindexed from 1)		R54 Q62 N101 H125
Annotation score1
Enzymatic activity
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
Biological Process
GO:0000413 protein peptidyl-prolyl isomerization
GO:0006457 protein folding

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3rda, PDBe:3rda, PDBj:3rda
PDBsum3rda
PubMed27652979
UniProtP30405|PPIF_HUMAN Peptidyl-prolyl cis-trans isomerase F, mitochondrial (Gene Name=PPIF)

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