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Magnesium in PDB 4hvj: Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp

Protein crystallography data

The structure of Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp, PDB code: 4hvj was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.49 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.520, 76.250, 105.770, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 22.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp (pdb code 4hvj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp, PDB code: 4hvj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4hvj

Go back to Magnesium Binding Sites List in 4hvj
Magnesium binding site 1 out of 2 in the Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp


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 A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:27.1
occ:1.00
O A:HOH401 2.0 23.5 1.0
OD1 A:ASP7 2.0 20.3 1.0
O A:HOH402 2.0 23.4 1.0
O2P A:AMP300 2.0 48.7 1.0
O A:HOH475 2.1 34.9 1.0
O A:HOH403 2.2 23.9 1.0
CG A:ASP7 3.1 20.8 1.0
P A:AMP300 3.3 53.8 1.0
OD2 A:ASP7 3.5 25.7 1.0
O A:HOH480 3.8 35.3 1.0
O1P A:AMP300 3.9 50.5 1.0
OD1 A:ASP96 3.9 17.8 1.0
C5' A:AMP300 4.0 45.6 1.0
O5' A:AMP300 4.0 47.9 1.0
OD2 A:ASP96 4.0 20.8 1.0
OD2 A:ASP146 4.0 25.6 0.5
O A:THR8 4.2 17.5 1.0
O A:HOH404 4.3 18.5 1.0
CG A:ASP96 4.4 17.9 1.0
CB A:ASP7 4.4 18.6 1.0
O A:HOH411 4.5 20.4 1.0
O A:TRP91 4.5 19.8 1.0
O3P A:AMP300 4.5 49.4 1.0
CG A:ASP146 4.7 25.5 0.5
N A:THR8 4.7 15.6 1.0
CA A:ASP7 4.8 15.9 1.0

Magnesium binding site 2 out of 2 in 4hvj

Go back to Magnesium Binding Sites List in 4hvj
Magnesium binding site 2 out of 2 in the Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Putative Uncharacterized Protein From Mycobacterium Tuberculosis in Complex with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg301

b:38.4
occ:1.00
O B:HOH474 2.5 44.8 1.0
OD1 B:ASP7 2.6 23.0 1.0
O B:THR8 2.7 19.6 1.0
OD1 B:ASP96 2.8 20.8 1.0
CG B:ASP96 3.6 18.4 1.0
CG B:ASP7 3.7 22.6 1.0
OD2 B:ASP96 3.7 19.4 1.0
C B:THR8 3.8 18.9 1.0
OD2 B:ASP7 4.0 23.4 1.0
N B:THR8 4.0 18.4 1.0
OG1 B:THR8 4.3 18.1 1.0
CE2 B:PHE10 4.3 18.5 1.0
O B:HOH477 4.4 39.4 1.0
CA B:THR8 4.5 18.5 1.0
O B:HOH442 4.8 29.4 1.0
OE2 B:GLU9 4.8 40.9 1.0
N B:GLU9 4.9 20.7 1.0
CZ B:PHE10 4.9 19.4 1.0
CB B:ASP7 5.0 21.3 1.0
OE1 B:GLU9 5.0 32.5 1.0
CD B:GLU9 5.0 31.4 1.0
C B:ASP7 5.0 19.2 1.0

Reference:

J.Abendroth, A.Ollodart, E.S.Andrews, P.J.Myler, B.L.Staker, T.E.Edwards, V.L.Arcus, C.Grundner. Mycobacterium Tuberculosis RV2179C Protein Establishes A New Exoribonuclease Family with Broad Phylogenetic Distribution. J.Biol.Chem. V. 289 2139 2014.
ISSN: ISSN 0021-9258
PubMed: 24311791
DOI: 10.1074/JBC.M113.525683
Page generated: Fri Aug 16 16:25:56 2024

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