PDBsum entry 3tc5

Isomerase/isomerase inhibitor

PDB id: 3tc5

Contents

Protein chain

144 a.a.

Ligands

3T5

P6G

Waters ×266

PDB id:

3tc5

Name:

Isomerase/isomerase inhibitor

Title:

Selective targeting of disease-relevant protein binding domains by o- phosphorylated natural product derivatives

Structure:

Peptidyl-prolyl cis-trans isomerase nima-interacting 1. Chain: a. Fragment: peptidyl-prolyl cis-trans isomerase nima-interacting 1. Synonym: peptidyl-prolyl cis-trans isomerase pin1, ppiase pin1, rotamase pin1. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pin1. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.40Å R-factor: 0.177 R-free: 0.211

Authors:

M.Graeber,W.Janczyk,B.Sperl,N.Elumalai,C.Kozany,F.Hausch,T.A.Holak, T.Berg

Key ref:

M.Gräber et al. (2011). Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives. Acs Chem Biol, 6, 1008-1014. PubMed id: 21797253 DOI: 10.1021/cb2001796

Date:

08-Aug-11 Release date: 31-Aug-11

Protein chain

Q13526  (PIN1_HUMAN) -  Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 from Homo sapiens

Seq: 163 a.a.

Struc: 144 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: 10.1021/cb2001796

Acs Chem Biol 6:1008-1014 (2011)

PubMed id: 21797253

Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives.

M.Gräber, W.Janczyk, B.Sperl, N.Elumalai, C.Kozany, F.Hausch, T.A.Holak, T.Berg.

ABSTRACT

No abstract given.