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Magnesium in PDB 2aqx: Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B

Enzymatic activity of Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B

All present enzymatic activity of Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B:
2.7.1.127;

Protein crystallography data

The structure of Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B, PDB code: 2aqx was solved by P.P.Chamberlain, M.L.Sandberg, K.Sauer, M.P.Cooke, S.A.Lesley, G.Spraggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 53.204, 60.655, 56.851, 59.90, 72.74, 88.18
R / Rfree (%) 18.4 / 26.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B (pdb code 2aqx). 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 Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B, PDB code: 2aqx:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2aqx

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Magnesium binding site 1 out of 4 in the Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B


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 Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg600

b:17.6
occ:1.00
 O3G A:ATP1462 2.0 16.0 1.0
O2A A:ATP1462 2.0 23.2 1.0
O A:HOH105 2.2 17.5 1.0
OD2 A:ASP893 2.3 18.7 1.0
CG A:ASP893 3.1 20.1 1.0
CB A:ASP893 3.3 22.5 1.0
PA A:ATP1462 3.4 23.9 1.0
PG A:ATP1462 3.4 15.7 1.0
O A:GLY874 3.6 23.6 1.0
OG A:SER876 3.7 25.6 1.0
MG A:MG601 3.8 26.1 1.0
O3B A:ATP1462 3.9 18.1 1.0
O1B A:ATP1462 3.9 19.0 1.0
O1A A:ATP1462 4.0 23.6 1.0
O3A A:ATP1462 4.2 21.4 1.0
O1G A:ATP1462 4.2 13.3 1.0
CE A:LYS741 4.2 33.1 1.0
PB A:ATP1462 4.3 20.2 1.0
OD1 A:ASP893 4.3 19.2 1.0
O2G A:ATP1462 4.5 10.2 1.0
OD2 A:ASP739 4.5 27.9 1.0
O5' A:ATP1462 4.6 18.5 1.0
CB A:SER876 4.6 23.8 1.0
NZ A:LYS741 4.7 36.6 1.0
CA A:ASP893 4.8 23.0 1.0
C A:GLY874 4.8 22.7 1.0
CB A:ALA670 4.8 26.0 1.0
C5' A:ATP1462 5.0 21.4 1.0

Magnesium binding site 2 out of 4 in 2aqx

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Magnesium binding site 2 out of 4 in the Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B


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 Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:26.1
occ:1.00
 OD2 A:ASP893 1.9 18.7 1.0
O1G A:ATP1462 2.3 13.3 1.0
O1B A:ATP1462 2.4 19.0 1.0
OD1 A:ASP893 2.4 19.2 1.0
CG A:ASP893 2.4 20.1 1.0
PG A:ATP1462 3.2 15.7 1.0
O3G A:ATP1462 3.2 16.0 1.0
NZ A:LYS896 3.6 37.4 1.0
PB A:ATP1462 3.6 20.2 1.0
O3B A:ATP1462 3.8 18.1 1.0
MG A:MG600 3.8 17.6 1.0
CB A:ASP893 3.9 22.5 1.0
O A:GLY874 4.1 23.6 1.0
NZ A:LYS686 4.4 27.2 1.0
N A:GLY895 4.4 27.8 1.0
CA A:GLY895 4.5 27.8 1.0
O2G A:ATP1462 4.6 10.2 1.0
O2A A:ATP1462 4.6 23.2 1.0
O2B A:ATP1462 4.6 21.9 1.0
O3A A:ATP1462 4.8 21.4 1.0
O A:ASP893 4.8 23.8 1.0
CE A:LYS896 4.8 39.2 1.0
C A:ASP893 4.9 23.9 1.0
CA A:ASP893 4.9 23.0 1.0
PA A:ATP1462 5.0 23.9 1.0
O1A A:ATP1462 5.0 23.6 1.0
N A:LYS896 5.0 28.9 1.0

Magnesium binding site 3 out of 4 in 2aqx

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Magnesium binding site 3 out of 4 in the Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B


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 Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1600

b:33.5
occ:1.00
 OD2 B:ASP893 2.1 18.5 1.0
O3G B:ATP2462 2.4 16.1 1.0
O2A B:ATP2462 2.6 21.6 1.0
CG B:ASP893 3.0 23.1 1.0
OG B:SER876 3.2 23.6 1.0
O B:GLY874 3.3 26.9 1.0
CB B:ASP893 3.3 26.1 1.0
NZ B:LYS741 3.5 37.3 1.0
CE B:LYS741 3.5 36.3 1.0
PG B:ATP2462 3.9 20.2 1.0
CB B:SER876 3.9 22.7 1.0
PA B:ATP2462 4.0 19.6 1.0
OD1 B:ASP893 4.2 20.8 1.0
MG B:MG1601 4.2 20.2 1.0
C B:GLY874 4.4 26.0 1.0
OD2 B:ASP739 4.5 25.5 1.0
O3B B:ATP2462 4.6 16.5 1.0
O1B B:ATP2462 4.6 16.2 1.0
O1G B:ATP2462 4.6 16.1 1.0
O1A B:ATP2462 4.6 16.9 1.0
C B:SER875 4.6 23.5 1.0
N B:SER876 4.6 23.9 1.0
OE2 B:GLU810 4.7 44.8 1.0
OD1 B:ASP739 4.7 32.0 1.0
CA B:SER875 4.8 24.0 1.0
CA B:ASP893 4.8 26.9 1.0
CA B:SER876 4.9 23.4 1.0
O2G B:ATP2462 4.9 19.4 1.0
CD B:LYS741 5.0 33.5 1.0
O3A B:ATP2462 5.0 19.2 1.0
O5' B:ATP2462 5.0 20.9 1.0

Magnesium binding site 4 out of 4 in 2aqx

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Magnesium binding site 4 out of 4 in the Crystal Structure of the Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B


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 Catalytic and Cam-Binding Domains of Inositol 1,4,5-Trisphosphate 3-Kinase B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1601

b:20.2
occ:1.00
 O1G B:ATP2462 2.1 16.1 1.0
OD1 B:ASP893 2.2 20.8 1.0
O1B B:ATP2462 2.3 16.2 1.0
OD2 B:ASP893 2.4 18.5 1.0
CG B:ASP893 2.6 23.1 1.0
PG B:ATP2462 3.1 20.2 1.0
O3G B:ATP2462 3.3 16.1 1.0
PB B:ATP2462 3.5 16.6 1.0
O3B B:ATP2462 3.8 16.5 1.0
CB B:ASP893 4.0 26.1 1.0
NZ B:LYS686 4.1 23.9 1.0
O B:GLY874 4.1 26.9 1.0
MG B:MG1600 4.2 33.5 1.0
O2G B:ATP2462 4.4 19.4 1.0
O2A B:ATP2462 4.4 21.6 1.0
N B:GLY895 4.5 29.7 1.0
O2B B:ATP2462 4.5 19.5 1.0
O3A B:ATP2462 4.6 19.2 1.0
CA B:GLY895 4.6 31.5 1.0
O1A B:ATP2462 4.7 16.9 1.0
PA B:ATP2462 4.7 19.6 1.0
CA B:ASP893 4.7 26.9 1.0
NZ B:LYS741 4.8 37.3 1.0
C B:ASP893 4.8 27.7 1.0

Reference:

P.P.Chamberlain, M.L.Sandberg, K.Sauer, M.P.Cooke, S.A.Lesley, G.Spraggon. Structural Insights Into Enzyme Regulation For Inositol 1,4,5-Trisphosphate 3-Kinase B Biochemistry V. 44 14486 2005.
ISSN: ISSN 0006-2960
PubMed: 16262249
DOI: 10.1021/BI051256Q
Page generated: Tue Aug 13 21:35:26 2024

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