Magnesium in PDB 3ab8: Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps.

The structure of Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps., PDB code: 3ab8 was solved by M.Goto, H.Iino, N.Shimizu, S.Kuramitsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.82 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.910, 53.774, 63.429, 78.91, 72.12, 69.66
R / Rfree (%)	18.4 / 21.8

The binding sites of Magnesium atom in the Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps. (pdb code 3ab8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps., PDB code: 3ab8:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps.


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 the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg511 b:10.0 occ:1.00 O3G A:ATP510 1.9 12.6 1.0 O2A A:ATP510 1.9 9.5 1.0 O1B A:ATP510 2.0 12.2 1.0 O A:HOH269 2.1 13.2 1.0 O A:HOH270 2.1 10.2 1.0 O A:HOH271 2.2 13.2 1.0 PB A:ATP510 3.1 13.2 1.0 PG A:ATP510 3.3 13.7 1.0 PA A:ATP510 3.3 9.3 1.0 O3A A:ATP510 3.7 11.0 1.0 O3B A:ATP510 3.7 12.8 1.0 O A:HOH311 3.9 11.4 1.0 O1G A:ATP510 4.1 11.8 1.0 O A:HOH291 4.1 11.0 1.0 O A:HOH323 4.1 17.5 1.0 N7 A:ATP510 4.1 7.3 1.0 O5' A:ATP510 4.1 10.1 1.0 O A:HOH383 4.1 22.7 1.0 C8 A:ATP510 4.2 7.8 1.0 OG1 A:THR132 4.2 10.7 1.0 OE2 A:GLU120 4.2 18.9 1.0 CG A:GLU120 4.3 16.6 1.0 O1A A:ATP510 4.3 8.0 1.0 O2G A:ATP510 4.4 12.0 1.0 O2B A:ATP510 4.4 11.6 1.0 OD2 A:ASP8 4.5 10.6 1.0 NH2 A:ARG40 4.6 14.8 1.0 CD A:GLU120 4.8 20.4 1.0 CB A:ALA121 4.8 11.5 1.0 N A:GLU120 4.9 11.2 1.0 N A:ALA121 4.9 10.3 1.0 CB A:THR132 4.9 8.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps.


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 the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg521 b:13.7 occ:1.00 O2A A:ATP520 2.0 14.9 1.0 O1B A:ATP520 2.0 16.5 1.0 O A:HOH276 2.1 16.2 1.0 O A:HOH275 2.1 15.1 1.0 O A:HOH279 2.1 15.5 1.0 O A:HOH277 2.1 10.9 1.0 PA A:ATP520 3.3 10.8 1.0 PB A:ATP520 3.3 14.2 1.0 O5' A:ATP520 3.7 10.4 1.0 O3A A:ATP520 3.8 13.9 1.0 O1G A:ATP520 4.0 15.9 1.0 O A:HOH374 4.0 18.0 1.0 O A:HOH286 4.1 11.4 1.0 O2B A:ATP520 4.1 17.9 1.0 O A:HOH371 4.2 21.2 1.0 O A:HOH443 4.2 38.1 1.0 O A:HOH363 4.2 29.9 1.0 OD2 A:ASP162 4.4 11.3 1.0 O A:HOH338 4.4 15.8 1.0 O1A A:ATP520 4.5 11.1 1.0 O3B A:ATP520 4.6 12.7 1.0 C8 A:ATP520 4.7 10.1 1.0 PG A:ATP520 4.7 15.2 1.0 O3G A:ATP520 4.8 14.1 1.0 C5' A:ATP520 4.8 11.5 1.0 N7 A:ATP520 4.9 9.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg511 b:16.9 occ:1.00 O2A B:ATP510 2.0 15.7 1.0 O B:HOH274 2.0 21.0 1.0 O1B B:ATP510 2.0 19.0 1.0 O B:HOH273 2.1 24.7 1.0 O B:HOH278 2.2 20.2 1.0 O B:HOH272 2.2 10.1 1.0 PA B:ATP510 3.3 13.3 1.0 PB B:ATP510 3.3 17.5 1.0 O5' B:ATP510 3.7 12.1 1.0 O3A B:ATP510 3.8 15.6 1.0 O1G B:ATP510 4.0 17.4 1.0 O B:HOH350 4.0 12.2 1.0 O2B B:ATP510 4.1 20.7 1.0 O B:HOH399 4.2 38.9 1.0 O B:HOH307 4.3 15.5 1.0 O B:HOH444 4.3 20.5 1.0 O B:HOH342 4.3 21.5 1.0 OD2 B:ASP162 4.4 11.7 1.0 O1A B:ATP510 4.5 12.2 1.0 O3B B:ATP510 4.6 16.4 1.0 PG B:ATP510 4.6 20.0 1.0 C8 B:ATP510 4.7 9.7 1.0 O B:HOH355 4.7 36.7 1.0 O3G B:ATP510 4.8 16.5 1.0 C5' B:ATP510 4.9 10.9 1.0 N7 B:ATP510 5.0 9.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 Complexed with Atps. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg521 b:12.6 occ:1.00 O1B B:ATP520 1.9 14.1 1.0 O3G B:ATP520 2.0 17.6 1.0 O B:HOH284 2.0 12.7 1.0 O B:HOH281 2.0 12.6 1.0 O2A B:ATP520 2.0 11.4 1.0 O B:HOH287 2.3 14.9 1.0 PB B:ATP520 3.2 13.6 1.0 PG B:ATP520 3.3 15.8 1.0 PA B:ATP520 3.4 11.4 1.0 O3B B:ATP520 3.8 13.8 1.0 O3A B:ATP520 3.8 12.2 1.0 O B:HOH299 3.9 10.8 1.0 O B:HOH297 3.9 11.2 1.0 O1G B:ATP520 4.1 16.7 1.0 N7 B:ATP520 4.1 10.1 1.0 C8 B:ATP520 4.2 8.7 1.0 O5' B:ATP520 4.2 9.8 1.0 OE2 B:GLU120 4.2 16.5 1.0 CG B:GLU120 4.2 17.6 1.0 O B:HOH364 4.3 19.6 1.0 OG1 B:THR132 4.3 12.1 1.0 OD2 B:ASP8 4.4 14.4 1.0 O2B B:ATP520 4.4 12.8 1.0 O1A B:ATP520 4.5 9.5 1.0 O2G B:ATP520 4.5 14.7 1.0 NH2 B:ARG40 4.7 14.0 1.0 CB B:ALA121 4.7 14.1 1.0 CD B:GLU120 4.7 19.8 1.0 N B:ALA121 4.8 13.4 1.0 N B:GLU120 4.8 12.9 1.0

H.Iino, N.Shimizu, A.Ebihara, M.Goto, K.Hirotsu, S.Kuramitsu. Crystal Structure of the Hypothetical Tandem-Type Universal Stress Protein TTHA0350 From Thermus Thermophilus HB8 To Be Published.