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Magnesium in PDB 3rre: Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp

Enzymatic activity of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp

All present enzymatic activity of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp:
4.2.1.93;

Protein crystallography data

The structure of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp, PDB code: 3rre was solved by I.A.Shumilin, M.Cymborowski, S.A.Lesley, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.42 / 2.15
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 122.309, 122.309, 155.312, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.7

Other elements in 3rre:

The structure of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp also contains other interesting chemical elements:

Potassium (K) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp (pdb code 3rre). 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 TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp, PDB code: 3rre:

Magnesium binding site 1 out of 1 in 3rre

Go back to Magnesium Binding Sites List in 3rre
Magnesium binding site 1 out of 1 in the Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp


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 TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg492

b:24.5
occ:1.00
 O1B A:ADP493 2.0 41.0 1.0
O A:HOH612 2.1 37.2 1.0
O1A A:ADP493 2.1 32.6 1.0
O A:HOH530 2.2 30.4 1.0
O A:HOH542 2.2 31.1 1.0
PA A:ADP493 3.3 34.2 1.0
PB A:ADP493 3.4 43.0 1.0
O3A A:ADP493 3.6 40.1 1.0
O2B A:ADP493 3.9 46.3 1.0
NZ A:LYS402 4.1 32.1 1.0
OE2 A:GLU369 4.1 30.6 1.0
OD1 A:ASP342 4.2 32.7 1.0
O3B A:ADP495 4.3 80.5 1.0
OD2 A:ASP342 4.3 31.7 1.0
CD2 A:HIS366 4.4 25.7 1.0
O5' A:ADP493 4.4 33.6 1.0
O2A A:ADP493 4.4 44.0 1.0
CA A:GLY430 4.4 25.5 1.0
CB A:ALA343 4.5 27.7 1.0
OE1 A:GLU369 4.5 29.9 1.0
O3B A:ADP493 4.5 43.9 1.0
OD1 A:ASP431 4.6 32.8 1.0
CG A:ASP342 4.7 31.3 1.0
CD A:GLU369 4.7 29.4 1.0
CE A:LYS402 4.8 35.1 1.0
C A:GLY430 4.8 26.3 1.0
CA A:ALA343 4.8 28.4 1.0
N A:ASP431 5.0 26.1 1.0
NE2 A:HIS366 5.0 27.3 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 10:36:29 2024

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