PDBsum entry 3rda

Isomerase/isomerase inhibitor

PDB id: 3rda

Contents

Protein chain

164 a.a.

Ligands

MIO ×5

MIO-MIO

Waters ×415

PDB id:

3rda

Name:

Isomerase/isomerase inhibitor

Title:

Human cyclophilin d complexed with a fragment

Structure:

Peptidyl-prolyl cis-trans isomerase f, mitochondrial. Chain: x. Fragment: unp residues 43-207. Synonym: ppiase f, cyclophilin f, rotamase f. Engineered: yes. Mutation: yes

Source:

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

Resolution:

1.07Å R-factor: 0.116 R-free: 0.138

Authors:

L.Colliandre,H.Ahmed-Belkacem,Y.Bessin,J.M.Pawlotsky,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:

01-Apr-11 Release date: 21-Mar-12

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.