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Zinc in PDB 2ovv: Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A

Enzymatic activity of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A, PDB code: 2ovv was solved by J.Pandit, E.S.Marr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.55 / 2.00
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 120.657, 120.657, 83.273, 90.00, 90.00, 120.00
R / Rfree (%) 17.4 / 20.6

Other elements in 2ovv:

The structure of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A (pdb code 2ovv). 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 the Catalytic Domain of Rat Phosphodiesterase 10A, PDB code: 2ovv:

Zinc binding site 1 out of 1 in 2ovv

Go back to Zinc Binding Sites List in 2ovv
Zinc binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A


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 the Catalytic Domain of Rat Phosphodiesterase 10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn9001

b:22.9
occ:1.00
 O A:HOH3 1.9 20.1 1.0
NE2 A:HIS553 2.1 18.9 1.0
NE2 A:HIS519 2.1 22.0 1.0
OD2 A:ASP554 2.1 17.6 1.0
OD1 A:ASP664 2.2 20.0 1.0
CD2 A:HIS553 3.0 17.4 1.0
CD2 A:HIS519 3.0 19.5 1.0
CE1 A:HIS553 3.1 19.2 1.0
CG A:ASP664 3.1 21.9 1.0
CE1 A:HIS519 3.1 22.1 1.0
CG A:ASP554 3.1 18.3 1.0
OD2 A:ASP664 3.3 28.0 1.0
O A:HOH81 3.5 39.6 1.0
OD1 A:ASP554 3.5 17.9 1.0
MG A:MG9002 3.7 19.3 1.0
CD2 A:HIS515 4.0 23.8 1.0
CG A:HIS553 4.2 19.4 1.0
ND1 A:HIS553 4.2 21.1 1.0
CG A:HIS519 4.2 19.7 1.0
ND1 A:HIS519 4.2 18.3 1.0
O A:HOH5 4.2 22.6 1.0
O A:HOH179 4.3 39.7 1.0
CB A:ASP554 4.3 18.6 1.0
CB A:ASP664 4.4 20.3 1.0
O A:HOH1 4.5 20.3 1.0
NE2 A:HIS515 4.6 21.2 1.0
CG2 A:VAL523 4.6 20.3 1.0
CA A:ASP664 4.9 19.5 1.0

Reference:

T.A.Chappie, J.M.Humphrey, M.P.Allen, K.G.Estep, C.B.Fox, L.A.Lebel, S.Liras, E.S.Marr, F.S.Menniti, J.Pandit, C.J.Schmidt, M.Tu, R.D.Williams, F.V.Yang. Discovery of A Series of 6,7-Dimethoxy-4-Pyrrolidylquinazoline PDE10A Inhibitors J.Med.Chem. V. 50 182 2007.
ISSN: ISSN 0022-2623
PubMed: 17228859
DOI: 10.1021/JM060653B
Page generated: Thu Oct 17 02:48:10 2024

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