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Magnesium in PDB 3qxg: Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation

Enzymatic activity of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation

All present enzymatic activity of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation:
3.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation, PDB code: 3qxg 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) 50.00 / 1.24
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.065, 70.586, 76.323, 90.00, 119.77, 90.00
R / Rfree (%) 15.2 / 18.2

Other elements in 3qxg:

The structure of Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation also contains other interesting chemical elements:

Calcium (Ca) 7 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation (pdb code 3qxg). 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 Complexed with Calcium, A Closed Cap Conformation, PDB code: 3qxg:

Magnesium binding site 1 out of 1 in 3qxg

Go back to Magnesium Binding Sites List in 3qxg
Magnesium binding site 1 out of 1 in the Crystal Structure of Pyrophosphatase From Bacteroides Thetaiotaomicron Complexed with Calcium, A Closed Cap Conformation


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 Complexed with Calcium, A Closed Cap Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg232

b:24.6
occ:0.50
 O B:HOH394 1.9 20.0 1.0
O2 A:TLA229 2.0 24.3 1.0
O11 A:TLA229 2.3 23.6 1.0
O A:HOH254 2.5 77.5 1.0
OE2 A:GLU178 2.6 20.9 1.0
O A:HOH405 2.8 26.3 1.0
CA B:CA231 2.8 16.2 0.5
C2 A:TLA229 3.0 24.6 1.0
C1 A:TLA229 3.0 24.7 1.0
O A:HOH250 3.0 44.5 1.0
O3 A:TLA229 3.4 26.7 1.0
CD A:GLU178 3.4 17.4 1.0
OE1 A:GLU178 3.5 18.5 1.0
C3 A:TLA229 3.8 21.8 1.0
NZ A:LYS182 4.0 40.2 1.0
O B:HOH396 4.0 29.1 1.0
O1 A:TLA229 4.2 24.2 1.0
O4 A:TLA229 4.4 22.9 1.0
C4 A:TLA229 4.5 22.6 1.0
O B:HOH475 4.5 44.7 1.0
O A:HOH253 4.5 37.1 1.0
OE1 B:GLU178 4.6 16.9 1.0
OE2 B:GLU178 4.6 20.9 1.0
O B:HOH434 4.7 80.8 1.0
NH2 B:ARG49 4.7 19.2 1.0
O A:HOH357 4.8 28.2 1.0
CG A:GLU178 4.8 14.4 1.0
CD2 B:LEU175 4.9 15.0 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 10:12:23 2024

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