Magnesium in PDB 5a5y: Crystal Structure of ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A)

All present enzymatic activity of Crystal Structure of ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A):
3.6.1.25; 3.6.1.3;

The structure of Crystal Structure of ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A), PDB code: 5a5y was solved by J.Martinez, V.Truffault, M.Hothorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.37 / 1.92
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.334, 136.334, 144.202, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 19.8

The binding sites of Magnesium atom in the Crystal Structure of ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A) (pdb code 5a5y). 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 ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A), PDB code: 5a5y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A)


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 ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg500 b:34.8 occ:1.00 O3G A:3PO1000 1.9 34.8 1.0 O2A A:3PO1000 2.0 33.8 1.0 O1B A:3PO1000 2.1 30.3 1.0 OE2 A:GLU4 2.2 35.1 1.0 OE1 A:GLU169 2.3 36.2 1.0 OE2 A:GLU169 2.5 39.0 1.0 CD A:GLU169 2.7 36.7 1.0 PB A:3PO1000 3.0 33.1 1.0 PA A:3PO1000 3.1 35.5 1.0 O3A A:3PO1000 3.1 35.0 1.0 PG A:3PO1000 3.2 35.5 1.0 CD A:GLU4 3.2 41.4 1.0 O3B A:3PO1000 3.4 33.8 1.0 O A:HOH2003 3.4 43.1 1.0 OE1 A:GLU4 3.5 50.7 1.0 O5' A:3PO1000 3.9 34.2 1.0 O1G A:3PO1000 4.0 32.5 1.0 NH2 A:ARG143 4.1 28.4 1.0 CG A:GLU169 4.2 33.5 1.0 O2G A:3PO1000 4.3 37.4 1.0 O1A A:3PO1000 4.3 34.9 1.0 NZ A:LYS200 4.3 29.8 1.0 NZ A:LYS6 4.4 40.2 1.0 O2B A:3PO1000 4.4 31.5 1.0 CG A:GLU4 4.6 37.7 1.0 CD A:LYS6 4.7 39.1 1.0 CB A:GLU169 4.8 30.1 1.0 NZ A:LYS76 4.9 43.0 1.0 CG A:LYS6 4.9 35.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A)


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 ATTTM3 in Complex with Tripolyphosphate and Magnesium Ion (Form A) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg500 b:37.2 occ:1.00 O1G B:3PO1000 1.9 36.8 1.0 O5' B:3PO1000 2.0 37.3 1.0 O1B B:3PO1000 2.1 30.2 1.0 OE2 B:GLU4 2.2 43.3 1.0 OE1 B:GLU169 2.3 40.6 1.0 OE2 B:GLU169 2.5 44.4 1.0 CD B:GLU169 2.7 39.5 1.0 PB B:3PO1000 3.0 34.3 1.0 PA B:3PO1000 3.1 37.2 1.0 O3A B:3PO1000 3.1 35.4 1.0 PG B:3PO1000 3.2 36.5 1.0 CD B:GLU4 3.2 49.8 1.0 O B:HOH2005 3.5 59.0 1.0 O3B B:3PO1000 3.5 35.0 1.0 OE1 B:GLU4 3.5 56.9 1.0 O B:HOH2002 3.8 66.0 1.0 O1A B:3PO1000 3.9 34.2 1.0 O2G B:3PO1000 4.1 39.2 1.0 NH2 B:ARG143 4.2 31.6 1.0 CG B:GLU169 4.2 35.6 1.0 O2A B:3PO1000 4.3 35.8 1.0 O3G B:3PO1000 4.3 39.8 1.0 NZ B:LYS200 4.4 35.0 1.0 O2B B:3PO1000 4.4 30.2 1.0 NZ B:LYS6 4.5 52.4 1.0 CG B:GLU4 4.6 45.2 1.0 CD B:LYS6 4.6 43.2 1.0 CB B:GLU169 4.8 29.7 1.0 NZ B:LYS76 4.9 50.0 1.0 CG B:LYS6 4.9 37.1 1.0

J.Martinez, V.Truffault, M.Hothorn. Structural Determinants For Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes. J.Biol.Chem. V. 290 23348 2015.
ISSN: ISSN 0021-9258
PubMed: 26221030
DOI: 10.1074/JBC.M115.674473