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

Protein crystallography data

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

Magnesium Binding Sites:

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 1miw

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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 1miw

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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 1miw

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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 1miw

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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

Reference:

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
Page generated: Sun Aug 10 01:05:00 2025

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