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Zinc in PDB 3lxg: Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3

Enzymatic activity of Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3

All present enzymatic activity of Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3:
3.1.4.17; 3.1.4.35;

Protein crystallography data

The structure of Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3, PDB code: 3lxg was solved by T.Mosbacher, A.Jestel, S.Steinbacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.96 / 2.30
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 120.149, 120.149, 83.119, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 22.9

Other elements in 3lxg:

The structure of Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3 (pdb code 3lxg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3, PDB code: 3lxg:

Zinc binding site 1 out of 1 in 3lxg

Go back to Zinc Binding Sites List in 3lxg
Zinc binding site 1 out of 1 in the Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Rat Phosphodiesterase 10A in Complex with Ligand Web-3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn761

b:35.9
occ:1.00
 O A:HOH111 1.9 24.5 1.0
NE2 A:HIS553 2.0 33.9 1.0
NE2 A:HIS519 2.1 27.4 1.0
OD1 A:ASP664 2.1 37.0 1.0
OD2 A:ASP554 2.2 28.3 1.0
CD2 A:HIS519 2.9 32.4 1.0
CD2 A:HIS553 3.0 36.3 1.0
CG A:ASP664 3.0 38.8 1.0
CE1 A:HIS553 3.0 35.8 1.0
CG A:ASP554 3.2 30.7 1.0
CE1 A:HIS519 3.2 32.6 1.0
OD2 A:ASP664 3.2 43.2 1.0
O A:HOH101 3.4 33.4 1.0
OD1 A:ASP554 3.7 30.0 1.0
CD2 A:HIS515 3.9 34.1 1.0
MG A:MG2 4.0 39.5 1.0
ND1 A:HIS553 4.1 34.9 1.0
CG A:HIS553 4.1 33.4 1.0
CG A:HIS519 4.1 35.0 1.0
ND1 A:HIS519 4.2 36.1 1.0
CB A:ASP554 4.3 31.2 1.0
CB A:ASP664 4.4 37.4 1.0
NE2 A:HIS515 4.5 35.2 1.0
CG2 A:VAL523 4.5 28.7 1.0
O A:HOH109 4.6 29.6 1.0
O A:HOH18 4.7 22.4 1.0
CA A:ASP664 4.8 35.6 1.0
O A:ASP664 4.9 36.6 1.0

Reference:

N.Hofgen, H.Stange, R.Schindler, H.J.Lankau, C.Grunwald, B.Langen, U.Egerland, P.Tremmel, M.N.Pangalos, K.L.Marquis, T.Hage, B.L.Harrison, M.S.Malamas, N.J.Brandon, T.Kronbach. Discovery of Imidazo[1,5-A]Pyrido[3,2-E]Pyrazines As A New Class of Phosphodiesterase 10A Inhibitiors. J.Med.Chem. V. 53 4399 2010.
ISSN: ISSN 0022-2623
PubMed: 20450197
DOI: 10.1021/JM1002793
Page generated: Sat Oct 26 08:58:14 2024

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