Structure of PDB 3rda Chain X Binding Site BS03

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 209 [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)		G114 R124 A143 N144 Q153
Binding residue
(residue number reindexed from 1)		G71 R81 A100 N101 Q110
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

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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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