PDBsum entry 4j5e

Isomerase/isomerase inhibitor

PDB id: 4j5e

Contents

Protein chain

164 a.a.

Ligands

7B7

Waters ×522

PDB id:

4j5e

Name:

Isomerase/isomerase inhibitor

Title:

Human cyclophilin d complexed with an inhibitor

Structure:

Peptidyl-prolyl cis-trans isomerase f, mitochondrial. Chain: x. Fragment: unp residues 44-207. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: cyp3, ppif. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

0.99Å R-factor: 0.120 R-free: 0.136

Authors:

M.Gelin,L.Colliandre,Y.Bessin,J.F.Guichou

Key ref:

A.Ahmed-Belkacem et al. (2016). Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 12777. PubMed id: 27652979 DOI: 10.1038/ncomms12777

Date:

08-Feb-13 Release date: 19-Feb-14

Protein chain

P30405  (PPIF_HUMAN) -  Peptidyl-prolyl cis-trans isomerase F, mitochondrial from Homo sapiens

Seq: 207 a.a.

Struc: 164 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.5.2.1.8 - peptidylprolyl isomerase.
• Reaction: [protein]-peptidylproline (omega=180) = [protein]-peptidylproline (omega=0)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

Added reference

DOI no: 10.1038/ncomms12777

Nat Commun 7:12777 (2016)

PubMed id: 27652979

Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.

A.Ahmed-Belkacem, L.Colliandre, N.Ahnou, Q.Nevers, M.Gelin, Y.Bessin, R.Brillet, O.Cala, D.Douguet, W.Bourguet, I.Krimm, J.M.Pawlotsky, J.F.Guichou.

ABSTRACT

No abstract given.