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Magnesium in PDB 3rq2: Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh

Enzymatic activity of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh

All present enzymatic activity of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh:
4.2.1.93;

Protein crystallography data

The structure of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh, PDB code: 3rq2 was solved by I.A.Shumilin, M.Cymborowski, A.Joachimiak, W.Minor, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.80
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.930, 91.930, 169.626, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 17.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh (pdb code 3rq2). 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 Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh, PDB code: 3rq2:

Magnesium binding site 1 out of 1 in 3rq2

Go back to Magnesium Binding Sites List in 3rq2
Magnesium binding site 1 out of 1 in the Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh


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 Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis Co-Crystallized with Atp/MG2+ and Soaked with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg277

b:30.6
occ:1.00
 O3P A:AMP278 2.0 29.4 1.0
O A:HOH319 2.0 34.7 1.0
O A:HOH296 2.1 28.6 1.0
O A:HOH318 2.1 30.3 1.0
O A:HOH297 2.2 29.4 1.0
P A:AMP278 3.2 30.1 1.0
O1P A:AMP278 3.7 30.5 1.0
NZ A:LYS186 3.7 32.3 1.0
O2P A:AMP278 4.0 32.3 1.0
OE2 A:GLU152 4.0 30.4 1.0
OD1 A:ASP128 4.1 32.2 1.0
CD2 A:HIS149 4.2 34.0 1.0
OE1 A:GLU152 4.2 31.4 1.0
OD2 A:ASP128 4.2 28.6 1.0
OD1 A:ASP216 4.3 30.2 1.0
O1N A:NAX279 4.3 35.3 1.0
O5' A:AMP278 4.4 29.8 1.0
CA A:GLY215 4.5 28.9 1.0
O6N A:NAX279 4.5 33.7 1.0
CD A:GLU152 4.5 30.7 1.0
O2D A:NAX279 4.6 30.7 1.0
CG A:ASP128 4.6 29.0 1.0
C2D A:NAX279 4.6 31.6 1.0
CB A:ALA129 4.6 28.5 1.0
C A:GLY215 4.7 29.3 1.0
NE2 A:HIS149 4.7 31.5 1.0
O A:HOH377 4.8 44.7 1.0
CE A:LYS186 4.8 35.1 1.0
N A:ASP216 4.9 30.0 1.0
O5D A:NAX279 4.9 33.2 1.0

Reference:

I.A.Shumilin, M.Cymborowski, O.Chertihin, K.N.Jha, J.C.Herr, S.A.Lesley, A.Joachimiak, W.Minor. Identification of Unknown Protein Function Using Metabolite Cocktail Screening. Structure V. 20 1715 2012.
ISSN: ISSN 0969-2126
PubMed: 22940582
DOI: 10.1016/J.STR.2012.07.016
Page generated: Thu Aug 15 10:33:24 2024

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