PDBsum entry 4fcb

Hydrolase/hydrolase inhibitor

PDB id

4fcb

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Contents

			Protein chain

					322 a.a.

			Ligands

					0T7 ×2

			Metals

					_ZN ×2


					_MG ×2

			Waters ×82

PDB id:

4fcb

Links

Name:

Hydrolase/hydrolase inhibitor

Title:

Potent and selective phosphodiesterase 10a inhibitors

Structure:

Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10a. Chain: a, b. Fragment: catalytic domain (unp residues 439-779). Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pde10a. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.10Å

R-factor:

0.246

R-free:

0.284

Authors:

K.D.Parris

Key ref:

M.S.Malamas et al. (2012). Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg Med Chem Lett, 22, 5876-5884. PubMed id: 22902656

Date:

24-May-12

Release date:

05-Sep-12

PROCHECK

	Headers

	References

Protein chains

Q9Y233 (PDE10_HUMAN) - cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A from Homo sapiens

Seq: Struc:

Seq: Struc:

Seq: Struc:					1055 a.a. 322 a.a.*

Key:

Secondary structure

CATH domain

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



		Enzyme reactions

Enzyme class:

E.C.3.1.4.17 - 3',5'-cyclic-nucleotide phosphodiesterase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Reaction:

a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'-phosphate + H⁺

nucleoside 3',5'-cyclic phosphate	+	H2O	=	nucleoside 5'-phosphate	+	H(+)

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

Added reference

	Bioorg Med Chem Lett 22:5876-5884 (2012)
PubMed id: 22902656

Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
M.S.Malamas, H.Stange, R.Schindler, H.J.Lankau, C.Grunwald, B.Langen, U.Egerland, T.Hage, Y.Ni, J.Erdei, K.Y.Fan, K.Parris, K.L.Marquis, S.Grauer, J.Brennan, R.Navarra, R.Graf, B.L.Harrison, A.Robichaud, T.Kronbach, M.N.Pangalos, N.J.Brandon, N.Hoefgen.

ABSTRACT

No abstract given.