PDBsum entry 3pwy

Transferase/transferase inhibitor

PDB id: 3pwy

Contents

Protein chain

281 a.a.

Ligands

SYP

PDB id:

3pwy

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of an extender (spd28345)-modified human pdk1 complex 2

Structure:

3-phosphoinositide-dependent protein kinase 1. Chain: a. Fragment: kinase domain (unp residues 51-359). Synonym: hpdk1. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pdk1, pdpk1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

3.50Å R-factor: 0.226 R-free: 0.276

Authors:

R.A.Elling,D.M.Penny,R.L.Simmons,D.A.Erlanson,M.J.Romanowski

Key ref:

D.A.Erlanson et al. (2011). Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery. Bioorg Med Chem Lett, 21, 3078-3083. PubMed id: 21459573

Date:

09-Dec-10 Release date: 20-Apr-11

Protein chain

O15530  (PDPK1_HUMAN) -  3-phosphoinositide-dependent protein kinase 1 from Homo sapiens

Seq: 556 a.a.

Struc: 281 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.2.7.11.1 - non-specific serine/threonine protein kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺

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

reference

Bioorg Med Chem Lett 21:3078-3083 (2011)

PubMed id: 21459573

Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.

D.A.Erlanson, J.W.Arndt, M.T.Cancilla, K.Cao, R.A.Elling, N.English, J.Friedman, S.K.Hansen, C.Hession, I.Joseph, G.Kumaravel, W.C.Lee, K.E.Lind, R.S.McDowell, K.Miatkowski, C.Nguyen, T.B.Nguyen, S.Park, N.Pathan, D.M.Penny, M.J.Romanowski, D.Scott, L.Silvian, R.L.Simmons, B.T.Tangonan, W.Yang, L.Sun.

ABSTRACT

No abstract given.