Magnesium in PDB 7a0q: Crystal Structure of Kievitone Hydratase From Nectria Haematococca (C2 Sg)

The structure of Crystal Structure of Kievitone Hydratase From Nectria Haematococca (C2 Sg), PDB code: 7a0q was solved by T.Pavkov-Keller, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.41 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.327, 70.201, 51.26, 90, 103.55, 90
R / Rfree (%)	17.9 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of Kievitone Hydratase From Nectria Haematococca (C2 Sg) (pdb code 7a0q). 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 Kievitone Hydratase From Nectria Haematococca (C2 Sg), PDB code: 7a0q:

Magnesium binding site 1 out of 1 in the Crystal Structure of Kievitone Hydratase From Nectria Haematococca (C2 Sg)


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 Kievitone Hydratase From Nectria Haematococca (C2 Sg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:28.3 occ:1.00 O A:HOH743 2.8 33.6 1.0 OG1 A:THR86 2.9 23.0 1.0 O A:SER109 2.9 23.1 1.0 O A:SER119 2.9 19.1 1.0 OH A:TYR79 3.3 18.6 1.0 CG2 A:VAL120 3.6 20.8 1.0 CB A:THR86 3.8 19.5 1.0 O A:HOH648 3.9 18.5 1.0 O A:HOH749 3.9 26.9 1.0 O A:HOH762 3.9 38.5 1.0 C A:SER109 4.0 23.6 1.0 C A:SER119 4.0 19.5 1.0 CE2 A:TYR79 4.1 16.3 1.0 CA A:GLY107 4.1 23.0 1.0 CG2 A:THR86 4.1 24.4 1.0 CZ A:TYR79 4.1 18.9 1.0 N A:SER109 4.2 25.4 1.0 N A:SER108 4.3 25.2 1.0 CA A:VAL120 4.3 21.1 1.0 CB A:VAL120 4.5 20.1 1.0 C A:GLY107 4.5 19.9 1.0 N A:VAL120 4.6 18.7 1.0 O A:HOH705 4.6 33.1 1.0 CA A:SER109 4.7 23.3 1.0 N A:THR110 4.9 22.9 1.0 N A:GLY107 4.9 21.4 1.0 CG1 A:VAL120 4.9 22.7 1.0

T.Pavkov-Keller, G.Steinkellner, M.Engleder, M.Schuermann, H.Blasl, H.Pichler, K.Gruber. Structural Analysis and Reaction Mechanism of Kievitone Hydratase From Nectria Haematococca To Be Published.