Structure of PDB 8ejx Chain A Binding Site BS01

Receptor Information
>8ejx Chain A (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 ID9JT
InChIInChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
InChIKeyPVPUYGNPKBMXGO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)c2ccccc2[SeH]
CACTVS 3.385[SeH]c1ccccc1C(=O)Nc2ccccc2
ACDLabs 12.01O=C(Nc1ccccc1)c1ccccc1[SeH]
FormulaC13 H11 N O Se
NameN-phenyl-2-selanylbenzamide;
~{N}-phenyl-2-selanyl-benzamide;
Ebselen, bound form
ChEMBL
DrugBank
ZINC
PDB chain8ejx Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8ejx Crystal structure of human cyclophilin D (CypD) with in complex with the covalently bound Ebselen inhibitor
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R55 I57 F60 M61 F113 C115 L122
Binding residue
(residue number reindexed from 1)		R54 I56 F59 M60 F112 C114 L121
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
View graph for
Biological Process
External links
PDB RCSB:8ejx, PDBe:8ejx, PDBj:8ejx
PDBsum8ejx
PubMed38146639
UniProtP30405|PPIF_HUMAN Peptidyl-prolyl cis-trans isomerase F, mitochondrial (Gene Name=PPIF)

[Back to BioLiP]