Magnesium in PDB 6ztc: Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution.

Enzymatic activity of Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution.

All present enzymatic activity of Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution.:
2.5.1.18; 5.3.99.2;

Protein crystallography data

The structure of Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution., PDB code: 6ztc was solved by D.O.Somers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.071, 68.163, 68.517, 90, 96.7, 90
R / Rfree (%) 16.4 / 22.7

Other elements in 6ztc:

The structure of Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution. also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution. (pdb code 6ztc). 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 Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution., PDB code: 6ztc:

Magnesium binding site 1 out of 1 in 6ztc

Go back to Magnesium Binding Sites List in 6ztc
Magnesium binding site 1 out of 1 in the Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Prostaglandin D2 Synthase in Complex with Fragment 1A at 1.84A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:28.6
occ:1.00
 O B:HOH340 2.1 32.1 1.0
O A:HOH385 2.1 20.8 1.0
O B:HOH352 2.1 26.6 1.0
O A:HOH351 2.1 21.2 1.0
O A:HOH442 2.1 32.3 1.0
O B:HOH392 2.3 23.5 1.0
OD2 B:ASP96 3.7 21.9 1.0
OD2 A:ASP96 3.9 22.9 1.0
O B:HOH397 4.0 21.1 1.0
O A:HOH529 4.0 30.5 1.0
OD1 A:ASP97 4.1 24.5 1.0
OD1 B:ASP97 4.1 21.9 1.0
O A:HOH421 4.2 22.0 1.0
OD1 B:ASP93 4.2 18.2 1.0
OD1 A:ASP93 4.2 18.5 1.0
CG A:ASP93 4.5 20.6 1.0
CG B:ASP93 4.5 19.3 1.0
OD2 A:ASP93 4.6 22.4 1.0
CG B:ASP96 4.7 22.6 1.0
OD2 B:ASP93 4.7 21.2 1.0
CG A:ASP96 4.8 22.1 1.0
CB B:ASP96 4.9 17.8 1.0
CB A:ASP96 5.0 20.8 1.0

Reference:

C.A.Schulte, D.N.Deaton, Y.Do, R.Gampe, J.H.Guss, J.Holt, M.R.Jeune, K.Kahler, H.F.Kramer, P.N.Mortenson, C.Musetti, R.Nolte, G.E.Peckham, K.G.Petrov, B.L.Pietrak, C.Poole, D.J.Price, C.Richardson, G.Saxty, T.L.Smalley, D.O.Somers, E.L.Stewart, J.D.Stuart, S.A.Thomson, H.Hobbs, S.Hodgeson, J.Le, A.Hancock. A Knowledge-Based, Structural-Aided Discovery of A Novel Class of 2-Phenylimidazo[1,2-A]Pyridine-6-Carboxamide H-Pgds Inhibitors To Be Published.
Page generated: Sat Aug 21 15:13:03 2021

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