Magnesium in PDB 1miw: Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp

The structure of Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp, PDB code: 1miw was solved by F.Li, Y.Xiong, J.Wang, H.D.Cho, A.M.Weiner, T.A.Steitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.65 / 3.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.632, 105.632, 184.159, 90.00, 90.00, 120.00
R / Rfree (%)	22.8 / 26.3

The binding sites of Magnesium atom in the Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp (pdb code 1miw). 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 Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp, PDB code: 1miw:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp


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 Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg5601 b:62.6 occ:1.00 O3A A:ATP5501 2.3 72.5 1.0 O A:HOH5603 2.4 75.2 1.0 O1G A:ATP5501 2.5 75.3 1.0 O A:HOH5602 2.9 83.9 1.0 O1A A:ATP5501 3.0 76.2 1.0 PB A:ATP5501 3.3 73.0 1.0 PA A:ATP5501 3.3 72.8 1.0 PG A:ATP5501 3.4 70.8 1.0 O3B A:ATP5501 3.5 73.2 1.0 O5' A:ATP5501 3.5 73.5 1.0 O2B A:ATP5501 3.5 77.3 1.0 O3G A:ATP5501 3.9 72.6 1.0 N A:GLY27 4.1 67.9 1.0 O A:ASP40 4.2 67.7 1.0 OD2 A:ASP42 4.3 74.6 1.0 OD1 A:ASP40 4.3 79.5 1.0 CA A:GLY27 4.4 67.3 1.0 O A:HOH5705 4.5 97.0 1.0 O1B A:ATP5501 4.6 75.4 1.0 N A:ASP40 4.7 67.7 1.0 O2A A:ATP5501 4.8 69.0 1.0 O2G A:ATP5501 4.8 73.3 1.0 C5' A:ATP5501 4.9 75.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp


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 Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg5611 b:70.0 occ:1.00 O B:HOH5614 2.2 81.8 1.0 O A:HOH5612 2.5 77.7 1.0 O A:HOH5613 2.8 97.7 1.0 O A:ALA77 3.4 67.6 1.0 CB A:ASP40 3.6 69.2 1.0 NZ B:LYS58 4.2 82.2 1.0 CG A:ASP40 4.3 72.9 1.0 OD2 A:ASP40 4.4 73.9 1.0 C A:ALA77 4.6 66.4 1.0 N A:VAL41 4.7 66.4 1.0 CE2 A:TYR78 4.7 63.4 1.0 CB A:LYS76 4.7 65.3 1.0 CA A:ASP40 4.7 68.4 1.0 CD2 A:TYR78 4.7 62.5 1.0 N A:ALA77 4.9 65.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp


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 Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg6601 b:62.9 occ:1.00 O B:HOH6603 2.2 75.0 1.0 O3A B:ATP6501 2.2 72.9 1.0 O1G B:ATP6501 2.3 75.4 1.0 O1A B:ATP6501 2.9 76.0 1.0 O B:HOH6602 3.1 83.9 1.0 PB B:ATP6501 3.2 73.7 1.0 PA B:ATP6501 3.3 73.3 1.0 PG B:ATP6501 3.3 71.7 1.0 O3B B:ATP6501 3.4 73.7 1.0 O2B B:ATP6501 3.5 77.1 1.0 O5' B:ATP6501 3.7 73.5 1.0 O3G B:ATP6501 3.8 72.4 1.0 N B:GLY27 4.1 67.8 1.0 OD1 B:ASP40 4.2 78.8 1.0 O B:ASP40 4.2 67.6 1.0 OD2 B:ASP42 4.4 74.4 1.0 CA B:GLY27 4.4 67.2 1.0 O B:HOH6705 4.5 97.1 1.0 O1B B:ATP6501 4.5 75.2 1.0 O2G B:ATP6501 4.7 73.2 1.0 O2A B:ATP6501 4.7 69.5 1.0 N B:ASP40 4.8 67.6 1.0 C5' B:ATP6501 5.0 75.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp


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 Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg6611 b:69.3 occ:1.00 O A:HOH6614 2.2 81.6 1.0 O B:HOH6612 2.5 78.7 1.0 O B:HOH6613 2.8 97.7 1.0 O B:ALA77 3.3 67.3 1.0 CB B:ASP40 3.7 69.4 1.0 CE2 B:TYR78 4.4 63.5 1.0 CG B:ASP40 4.4 72.4 1.0 C B:ALA77 4.5 66.3 1.0 CD2 B:TYR78 4.5 62.5 1.0 N B:VAL41 4.5 66.1 1.0 OD2 B:ASP40 4.5 73.7 1.0 CB B:LYS76 4.6 65.6 1.0 NZ A:LYS58 4.6 82.2 1.0 CA B:ASP40 4.7 68.3 1.0 CZ B:TYR78 4.8 65.1 1.0 N B:ALA77 4.9 65.1 1.0

F.Li, Y.Xiong, J.Wang, H.D.Cho, K.Tomita, A.M.Weiner, T.A.Steitz. Crystal Structures of the Bacillus Stearothermophilus Cca-Adding Enzyme and Its Complexes with Atp or Ctp Cell(Cambridge,Mass.) V. 111 815 2002.
ISSN: ISSN 0092-8674
PubMed: 12526808
DOI: 10.1016/S0092-8674(02)01115-7