PDBsum entry 5bx6

Transferase

PDB id: 5bx6

Contents

Protein chains

346 a.a.

20 a.a.

Ligands

495

MPD ×3

Waters ×226

PDB id:

5bx6

Name:

Transferase

Title:

Pka in complex with a halogenated phthalazinone fragment compound.

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: prkaca, pkaca. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Expression_system_variant: prar. Synthetic: yes. Organism_taxid: 9606

Resolution:

1.89Å R-factor: 0.172 R-free: 0.218

Authors:

D.Narayanan,K.A.Alam,R.A.Engh

Key ref:

D.Narayanan et al. Pka based studies of ligand interactions with a methi gatekeeper.. To be published, .

Date:

08-Jun-15 Release date: 14-Sep-16

Protein chain

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

Seq: 351 a.a.

Struc: 346 a.a.*

Protein chain

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

Seq: 76 a.a.

Struc: 20 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