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

The structure of Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Ctp, PDB code: 1miy 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 / 3.52
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.552, 105.552, 182.745, 90.00, 90.00, 120.00
R / Rfree (%)	28.6 / 33.1

The binding sites of Magnesium atom in the Crystal Structure of Bacillus Stearothermophilus Cca-Adding Enzyme in Complex with Ctp (pdb code 1miy). 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 Ctp, PDB code: 1miy:
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 Ctp


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 Ctp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg5601 b:9.8 occ:1.00 O3A A:CTP5501 2.7 23.8 1.0 O1A A:CTP5501 2.7 29.0 1.0 O1G A:CTP5501 2.9 24.0 1.0 PA A:CTP5501 3.2 23.9 1.0 C5' A:CTP5501 3.9 27.4 1.0 O5' A:CTP5501 3.9 24.7 1.0 O A:HOH5602 4.0 35.9 1.0 PB A:CTP5501 4.1 22.9 1.0 PG A:CTP5501 4.1 19.5 1.0 O A:HOH5706 4.1 58.4 1.0 O3G A:CTP5501 4.2 21.2 1.0 OD2 A:ASP42 4.2 20.1 1.0 CB A:ASP40 4.4 15.7 1.0 O2B A:CTP5501 4.4 26.6 1.0 OD2 A:ASP40 4.5 23.9 1.0 O2A A:CTP5501 4.6 22.1 1.0 O3B A:CTP5501 4.6 22.8 1.0 CG A:ASP42 4.7 17.4 1.0 OD1 A:ASP42 4.8 23.2 1.0 CG A:ASP40 4.8 19.9 1.0

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


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 Ctp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg5611 b:9.9 occ:1.00 O A:HOH5612 2.5 34.7 1.0 O A:ALA77 2.7 13.3 1.0 NZ B:LYS58 3.1 30.6 1.0 OD1 A:ASP40 3.6 24.9 1.0 CG A:ASP40 3.8 19.9 1.0 C A:ALA77 3.9 11.9 1.0 CA A:ASP40 3.9 14.6 1.0 CB A:ASP40 4.0 15.7 1.0 CE B:LYS58 4.1 29.1 1.0 N A:VAL41 4.1 12.2 1.0 O A:VAL41 4.3 11.7 1.0 OD2 A:ASP40 4.4 23.9 1.0 C A:ASP40 4.5 13.7 1.0 O B:HOH5614 4.5 31.4 1.0 O A:HOH5613 4.5 37.2 1.0 CA A:TYR78 4.7 11.3 1.0 N A:TYR78 4.8 11.6 1.0 CA A:ALA77 4.8 11.4 1.0 N A:ALA77 4.8 10.9 1.0 CD2 A:TYR78 4.8 6.8 1.0

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


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 Ctp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg6601 b:9.8 occ:1.00 O1A B:CTP6501 2.6 29.0 1.0 O3A B:CTP6501 2.9 23.8 1.0 O1G B:CTP6501 3.1 24.0 1.0 PA B:CTP6501 3.2 23.9 1.0 O B:HOH6706 3.7 58.4 1.0 C5' B:CTP6501 4.0 27.4 1.0 O5' B:CTP6501 4.0 24.7 1.0 OD2 B:ASP40 4.1 23.9 1.0 OD2 B:ASP42 4.1 20.1 1.0 PG B:CTP6501 4.2 19.5 1.0 CB B:ASP40 4.2 15.7 1.0 O3G B:CTP6501 4.2 21.2 1.0 O B:HOH6602 4.3 35.9 1.0 PB B:CTP6501 4.4 22.9 1.0 CG B:ASP40 4.5 19.9 1.0 O2A B:CTP6501 4.6 22.1 1.0 OD1 B:ASP42 4.6 23.2 1.0 CG B:ASP42 4.7 17.4 1.0 O3B B:CTP6501 4.8 22.8 1.0 O2B B:CTP6501 4.9 26.6 1.0

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


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 Ctp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg6611 b:9.9 occ:1.00 O B:HOH6612 2.5 34.7 1.0 O B:ALA77 2.9 13.3 1.0 NZ A:LYS58 3.8 30.6 1.0 OD1 B:ASP40 3.8 24.9 1.0 C B:ALA77 4.0 11.9 1.0 CG B:ASP40 4.1 19.9 1.0 CA B:ASP40 4.1 14.6 1.0 N B:VAL41 4.2 12.2 1.0 O B:HOH6613 4.3 37.2 1.0 CE A:LYS58 4.3 29.1 1.0 O A:HOH6614 4.3 31.4 1.0 CB B:ASP40 4.4 15.7 1.0 O B:VAL41 4.5 11.7 1.0 OD2 B:ASP40 4.6 23.9 1.0 C B:ASP40 4.7 13.7 1.0 N B:ALA77 4.7 10.9 1.0 CA B:ALA77 4.8 11.4 1.0 CA B:TYR78 4.8 11.3 1.0 N B:TYR78 4.8 11.6 1.0 CD2 B:TYR78 5.0 6.8 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