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Magnesium in PDB 3qu9: Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate

Enzymatic activity of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate

All present enzymatic activity of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate:
3.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate, PDB code: 3qu9 was solved by Y.Patskovsky, H.Huang, R.Toro, J.A.Gerlt, S.K.Burley, D.Dunaway-Mariano, S.C.Almo, New York Sgx Research Center For Structural Genomics(Nysgxrc), Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.174, 84.174, 79.365, 90.00, 90.00, 120.00
R / Rfree (%) 20.9 / 25.2

Other elements in 3qu9:

The structure of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate (pdb code 3qu9). 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 Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate, PDB code: 3qu9:

Magnesium binding site 1 out of 1 in 3qu9

Go back to Magnesium Binding Sites List in 3qu9
Magnesium binding site 1 out of 1 in the Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate


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 Pyrophosphatase From Bacteroides Thetaiotaomicron, ASP13ASN Mutant Complexed with Magnesium and Tartrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg227

b:39.3
occ:1.00
 OD2 A:ASP11 2.1 49.5 1.0
OD1 A:ASN172 2.2 31.6 1.0
O A:ASN13 2.2 46.7 1.0
OE2 A:GLU47 2.2 35.4 1.0
O A:HOH286 2.9 42.8 1.0
CG A:ASN172 3.2 43.2 1.0
CG A:ASP11 3.2 37.4 1.0
CD A:GLU47 3.3 36.4 1.0
C A:ASN13 3.4 40.0 1.0
ND2 A:ASN172 3.6 41.4 1.0
CG A:GLU47 3.8 31.6 1.0
CB A:ASP11 4.0 35.2 1.0
OD1 A:ASP11 4.1 33.0 1.0
OE1 A:GLU171 4.1 46.5 1.0
O A:HOH238 4.2 40.3 1.0
CA A:ASN13 4.2 26.6 1.0
OE1 A:GLU47 4.3 36.4 1.0
O A:HOH239 4.3 36.7 1.0
N A:GLY14 4.4 31.6 1.0
O11 A:TLA226 4.4 38.5 1.0
CB A:ASN13 4.4 32.3 1.0
CB A:ALA173 4.4 34.9 1.0
CA A:GLY14 4.4 34.6 1.0
N A:ASN13 4.5 38.1 1.0
CB A:ASN172 4.5 44.5 1.0
N A:ASN172 4.7 40.7 1.0
N A:ALA173 4.8 38.6 1.0
C A:GLY14 4.9 35.9 1.0
CG2 A:VAL15 4.9 33.8 1.0

Reference:

H.Huang, Y.Patskovsky, R.Toro, J.D.Farelli, C.Pandya, S.C.Almo, K.N.Allen, D.Dunaway-Mariano. Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides Thetaiotaomicron BT2127 Is An Inorganic Pyrophosphatase. Biochemistry V. 50 8937 2011.
ISSN: ISSN 0006-2960
PubMed: 21894910
DOI: 10.1021/BI201181Q
Page generated: Thu Aug 15 10:10:36 2024

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