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Magnesium in PDB 7thn: Crystal Structure of Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor

Enzymatic activity of Crystal Structure of Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor

All present enzymatic activity of Crystal Structure of Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor:
6.2.1.53;

Protein crystallography data

The structure of Crystal Structure of Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor, PDB code: 7thn was solved by J.C.Corpuz, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.55 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.67, 92.66, 66.77, 90, 110.47, 90
R / Rfree (%) 15.3 / 18.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor (pdb code 7thn). 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 Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor, PDB code: 7thn:

Magnesium binding site 1 out of 1 in 7thn

Go back to Magnesium Binding Sites List in 7thn
Magnesium binding site 1 out of 1 in the Crystal Structure of Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor


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 Pigi Trapped with Pigg Using A Proline Adenosine Vinylsulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg615

b:13.2
occ:1.00
 O E:HOH313 3.0 15.8 1.0
N B:ASP187 3.0 10.8 1.0
OG1 B:THR289 3.0 14.8 1.0
O B:HOH910 3.3 19.1 1.0
CA B:PHE186 3.6 10.7 1.0
CG B:ASP187 3.6 15.4 1.0
C5 E:I5M204 3.8 10.7 1.0
C B:PHE186 3.8 11.1 1.0
OD1 B:ASP187 3.8 18.6 1.0
CB B:ASP187 3.9 13.0 1.0
CG2 B:THR289 3.9 11.3 1.0
CB B:PHE186 3.9 11.6 1.0
CB B:THR289 3.9 11.7 1.0
OD2 B:ASP187 4.0 15.6 1.0
C16 E:I5M204 4.0 12.0 1.0
CA B:ASP187 4.1 11.7 1.0
O1 E:I5M204 4.3 12.2 1.0
CD1 B:PHE186 4.3 12.7 1.0
CD2 B:LEU140 4.4 14.4 1.0
CA B:THR289 4.4 10.0 1.0
O B:ALA185 4.5 11.1 1.0
O B:HOH809 4.5 13.9 1.0
CG B:PHE186 4.6 12.3 1.0
S E:I5M204 4.6 11.2 1.0
O E:I5M204 4.7 11.7 1.0
C4 E:I5M204 4.7 10.9 1.0
N B:PHE186 4.8 10.4 1.0
C3 E:I5M204 4.8 11.0 1.0
N B:THR289 4.9 9.8 1.0

Reference:

J.C.Corpuz, A.Patel, T.D.Davis, L.M.Podust, J.A.Mccammon, M.D.Burkart. Essential Role of Loop Dynamics in Type II Nrps Biomolecular Recognition. Acs Chem.Biol. V. 17 2890 2022.
ISSN: ESSN 1554-8937
PubMed: 36173802
DOI: 10.1021/ACSCHEMBIO.2C00523
Page generated: Thu Oct 3 09:16:11 2024

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