PDBsum entry 3tvx

Hydrolase/hydrolase inhibitor

PDB id: 3tvx

Contents

Protein chain

334 a.a.

Ligands

PNX ×2

SO4 ×2

Metals

_ZN ×2

_MG ×2

PDB id:

3tvx

Name:

Hydrolase/hydrolase inhibitor

Title:

The structure of pde4a with pentoxifylline at 2.84a resolution

Structure:

Camp-specific 3',5'-cyclic phosphodiesterase 4a. Chain: a, b. Fragment: catalytic domain residues 351-683. Synonym: dpde2, pde46. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pde4a, dpde2. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.84Å R-factor: 0.224 R-free: 0.290

Authors:

J.Badger,V.Sridhar

Key ref:

M.I.Recht et al. (2012). Fragment-based screening for inhibitors of PDE4A using enthalpy arrays and X-ray crystallography. J Biomol Screen, 17, 469-480. PubMed id: 22223051

Date:

20-Sep-11 Release date: 25-Jan-12

Protein chains

P27815  (PDE4A_HUMAN) -  cAMP-specific 3',5'-cyclic phosphodiesterase 4A from Homo sapiens

Seq: 886 a.a.

Struc: 334 a.a.*

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

Enzyme reactions

• Enzyme class: E.C.3.1.4.53 - 3',5'-cyclic-AMP phosphodiesterase.
• Reaction: 3',5'-cyclic AMP + H2O = AMP + H⁺

3',5'-cyclic AMP (Bound ligand (Het Group name = PNX) matches with 55.56% similarity) + H2O = AMP + H(+)

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

Added reference

J Biomol Screen 17:469-480 (2012)

PubMed id: 22223051

Fragment-based screening for inhibitors of PDE4A using enthalpy arrays and X-ray crystallography.

M.I.Recht, V.Sridhar, J.Badger, L.Hernandez, B.Chie-Leon, V.Nienaber, F.E.Torres.

ABSTRACT

No abstract given.