PDBsum entry 3qpp

Hydrolase/hydrolase inhibitor

PDB id: 3qpp

Contents

Protein chain

305 a.a.

Ligands

SO4

DMS ×2

PFW

Metals

_ZN

_MG

Waters ×288

PDB id:

3qpp

Name:

Hydrolase/hydrolase inhibitor

Title:

Structure of pde10-inhibitor complex

Structure:

Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10a. Chain: a. Fragment: catalytic domain. Engineered: yes

Source:

Rattus norvegicus. Brown rat,rat,rats. Organism_taxid: 10116. Gene: pde10a. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

1.80Å R-factor: 0.186 R-free: 0.211

Authors:

J.Pandit,E.S.Marr

Key ref:

C.J.Helal et al. (2011). Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead series for the treatment of schizophrenia. J Med Chem, 54, 4536-4547. PubMed id: 21650160

Date:

14-Feb-11 Release date: 15-Jun-11

Protein chain

Q9QYJ6  (PDE10_RAT) -  cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A from Rattus norvegicus

Seq: 794 a.a.

Struc: 305 a.a.

Enzyme reactions

• Enzyme class: E.C.3.1.4.17 - 3',5'-cyclic-nucleotide phosphodiesterase.
• Reaction: a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'-phosphate + H⁺

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

Added reference

J Med Chem 54:4536-4547 (2011)

PubMed id: 21650160

Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead series for the treatment of schizophrenia.

C.J.Helal, Z.Kang, X.Hou, J.Pandit, T.A.Chappie, J.M.Humphrey, E.S.Marr, K.F.Fennell, L.K.Chenard, C.Fox, C.J.Schmidt, R.D.Williams, D.S.Chapin, J.Siuciak, L.Lebel, F.Menniti, J.Cianfrogna, K.R.Fonseca, F.R.Nelson, R.O'Connor, M.MacDougall, L.McDowell, S.Liras.

ABSTRACT

No abstract given.