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Magnesium in PDB 2vd1: Complex Structure of Prostaglandin D2 Synthase at 2.25A.

Enzymatic activity of Complex Structure of Prostaglandin D2 Synthase at 2.25A.

All present enzymatic activity of Complex Structure of Prostaglandin D2 Synthase at 2.25A.:
5.3.99.2;

Protein crystallography data

The structure of Complex Structure of Prostaglandin D2 Synthase at 2.25A., PDB code: 2vd1 was solved by M.Hohwy, L.Spadola, B.Lundquist, K.Von Wachenfeldt, S.Persdotter, P.Hawtin, J.Dahmen, I.Groth-Clausen, R.H.A.Folmer, K.Edman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.25
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 123.521, 123.521, 106.289, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 25.5

Other elements in 2vd1:

The structure of Complex Structure of Prostaglandin D2 Synthase at 2.25A. also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Complex Structure of Prostaglandin D2 Synthase at 2.25A. (pdb code 2vd1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Complex Structure of Prostaglandin D2 Synthase at 2.25A., PDB code: 2vd1:

Magnesium binding site 1 out of 1 in 2vd1

Go back to Magnesium Binding Sites List in 2vd1
Magnesium binding site 1 out of 1 in the Complex Structure of Prostaglandin D2 Synthase at 2.25A.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex Structure of Prostaglandin D2 Synthase at 2.25A. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1201

b:20.4
occ:1.00
O A:HOH2046 1.9 13.5 1.0
O A:HOH2043 2.1 30.6 1.0
O B:HOH2061 2.1 8.2 1.0
O A:HOH2048 2.2 13.5 1.0
O B:HOH2056 2.2 34.7 1.0
O B:HOH2059 2.3 24.1 1.0
OD1 B:ASP97 3.9 19.4 1.0
OD2 B:ASP96 4.0 13.5 1.0
OD2 A:ASP96 4.0 12.9 1.0
OD1 A:ASP97 4.1 13.8 1.0
OD1 B:ASP93 4.1 11.3 1.0
O A:HOH2047 4.2 16.2 1.0
OD1 A:ASP93 4.3 9.4 1.0
CG B:ASP93 4.3 11.3 1.0
O B:HOH2060 4.3 11.3 1.0
OD2 B:ASP93 4.4 11.8 1.0
CG A:ASP93 4.6 9.1 1.0
OD2 A:ASP93 4.8 8.6 1.0
CB B:ASP96 4.9 12.6 1.0
CG B:ASP96 4.9 13.4 1.0
CG A:ASP96 4.9 13.9 1.0

Reference:

M.Hohwy, L.Spadola, B.Lundquist, P.Hawtin, J.Dahmen, I.Groth-Clausen, E.Nilsson, S.Persdotter, K.Von Wachenfeldt, R.H.A.Folmer, K.Edman. Novel Prostaglandin D Synthase Inhibitors Generated By Fragment-Based Drug Design. J.Med.Chem. V. 51 2178 2008.
ISSN: ISSN 0022-2623
PubMed: 18341273
DOI: 10.1021/JM701509K
Page generated: Sun Aug 10 15:01:51 2025

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