PDBsum entry 3poo

Transferase/transferase inhibitor

PDB id: 3poo

Contents

Protein chains

333 a.a.

19 a.a.

Ligands

S69

BUD

Waters ×248

PDB id:

3poo

Name:

Transferase/transferase inhibitor

Title:

Human camp-dependent protein kinase in complex with an inhibitor

Structure:

Camp-dependent protein kinase catalytic subunit alpha. Chain: a. Synonym: pka c-alpha. Engineered: yes. Camp-dependent protein kinase inhibitor alpha. Chain: b. Fragment: unp residues 6-25. Synonym: pki-alpha, camp-dependent protein kinase inhibitor, muscle/brain isoform.

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pkaca, prkaca. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes

Resolution:

1.60Å R-factor: 0.187 R-free: 0.212

Authors:

H.Koester,A.Heine,G.Klebe

Key ref:

H.Koester et al. Fragment based drug design on pka. To be published, .

Date:

23-Nov-10 Release date: 16-Nov-11

Protein chain

P17612  (KAPCA_HUMAN) -  cAMP-dependent protein kinase catalytic subunit alpha from Homo sapiens

Seq: 351 a.a.

Struc: 333 a.a.*

Protein chain

P61925  (IPKA_HUMAN) -  cAMP-dependent protein kinase inhibitor alpha from Homo sapiens

Seq: 76 a.a.

Struc: 19 a.a.

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

Enzyme reactions

• Enzyme class: Chain A: E.C.2.7.11.11 - cAMP-dependent 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