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Magnesium in PDB 3uie: Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps

Enzymatic activity of Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps

All present enzymatic activity of Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps:
2.7.1.25;

Protein crystallography data

The structure of Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps, PDB code: 3uie was solved by G.E.Ravilious, J.M.Jez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.50 / 1.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.137, 95.313, 73.327, 90.00, 114.08, 90.00
R / Rfree (%) 17.3 / 20.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps (pdb code 3uie). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps, PDB code: 3uie:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3uie

Go back to Magnesium Binding Sites List in 3uie
Magnesium binding site 1 out of 3 in the Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps


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 Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:32.4
occ:1.00
O A:HOH541 2.0 27.1 1.0
O2G A:ANP402 2.1 28.9 1.0
O A:HOH575 2.1 27.1 1.0
O1B A:ANP402 2.2 26.3 1.0
OG A:SER115 2.2 30.9 1.0
O A:HOH509 2.3 27.9 1.0
CB A:SER115 3.2 31.1 1.0
PG A:ANP402 3.2 36.4 1.0
PB A:ANP402 3.3 28.6 1.0
N3B A:ANP402 3.4 27.6 1.0
OD1 A:ASP136 3.8 35.9 1.0
O A:HOH571 3.8 36.6 1.0
O3G A:ANP402 3.9 32.4 1.0
O1A A:ANP402 4.1 27.4 1.0
N A:SER115 4.1 24.4 1.0
CA A:SER115 4.2 29.2 1.0
O3A A:ANP402 4.3 27.8 1.0
NZ A:LYS218 4.3 75.8 1.0
OD2 A:ASP136 4.3 44.9 1.0
O2B A:ANP402 4.5 26.1 1.0
CG A:ASP136 4.5 34.9 1.0
O A:HOH563 4.5 50.7 1.0
O1G A:ANP402 4.5 31.3 1.0
O A:HOH552 4.5 49.3 1.0
PA A:ANP402 4.5 28.8 1.0
OG A:SER179 4.6 28.3 0.5
O2A A:ANP402 4.7 29.0 1.0

Magnesium binding site 2 out of 3 in 3uie

Go back to Magnesium Binding Sites List in 3uie
Magnesium binding site 2 out of 3 in the Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps


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 Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:34.3
occ:1.00
O2B B:ANP302 2.1 32.8 1.0
O B:HOH443 2.1 28.2 1.0
O3G B:ANP302 2.1 34.1 1.0
OG B:SER115 2.1 31.3 1.0
O B:HOH439 2.1 36.5 1.0
O B:HOH474 2.3 34.5 1.0
CB B:SER115 3.2 30.3 1.0
PB B:ANP302 3.2 33.0 1.0
PG B:ANP302 3.3 38.7 1.0
O B:HOH433 3.6 50.6 1.0
N3B B:ANP302 3.7 29.9 1.0
OD1 B:ASP136 3.8 48.6 1.0
O B:HOH427 4.0 37.0 1.0
O1G B:ANP302 4.0 36.1 1.0
N B:SER115 4.0 28.9 1.0
OD2 B:ASP136 4.1 45.0 1.0
O1A B:ANP302 4.1 34.7 1.0
CA B:SER115 4.2 31.9 1.0
O B:HOH550 4.3 67.3 1.0
O3A B:ANP302 4.4 33.7 1.0
CG B:ASP136 4.4 39.3 1.0
O1B B:ANP302 4.5 31.9 1.0
NZ B:LYS218 4.5 73.0 1.0
OG B:SER179 4.5 27.9 0.4
O2G B:ANP302 4.6 37.0 1.0
PA B:ANP302 4.6 32.0 1.0
O2A B:ANP302 4.8 31.1 1.0
O B:HOH571 5.0 57.9 1.0
CE B:LYS114 5.0 29.8 1.0

Magnesium binding site 3 out of 3 in 3uie

Go back to Magnesium Binding Sites List in 3uie
Magnesium binding site 3 out of 3 in the Crystal Structure of Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps


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 Adenosine 5'-Phosphosulfate Kinase From Arabidopsis Thaliana in Complex with Amppnp and Aps within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg303

b:44.6
occ:1.00
O C:HOH471 1.8 33.8 1.0
O C:HOH446 2.1 39.9 1.0
O C:HOH431 2.2 35.6 1.0
OG C:SER115 2.2 37.1 1.0
O2G C:ANP302 2.2 48.6 1.0
O1B C:ANP302 2.3 39.5 1.0
CB C:SER115 3.3 34.8 1.0
PG C:ANP302 3.3 51.7 1.0
PB C:ANP302 3.5 37.9 1.0
N3B C:ANP302 3.6 31.7 1.0
OD1 C:ASP136 3.8 46.3 1.0
OD2 C:ASP138 3.9 49.4 1.0
O3G C:ANP302 3.9 38.2 1.0
O C:HOH475 4.0 50.8 1.0
OD2 C:ASP136 4.1 45.6 1.0
N C:SER115 4.2 33.4 1.0
O1A C:ANP302 4.2 39.3 1.0
CA C:SER115 4.3 39.3 1.0
CG C:ASP136 4.4 42.6 1.0
O3A C:ANP302 4.4 38.7 1.0
O2B C:ANP302 4.6 37.4 1.0
O1G C:ANP302 4.6 43.6 1.0
OG C:SER179 4.6 35.6 0.7
PA C:ANP302 4.7 39.4 1.0
ND1 B:HIS84 4.7 60.3 1.0
O2A C:ANP302 4.8 35.2 1.0
O3' C:ADX301 4.8 47.1 1.0
CG C:ASP138 4.9 55.1 1.0
CB B:HIS84 4.9 42.0 1.0
CE C:LYS114 5.0 35.2 1.0
CG B:HIS84 5.0 55.5 1.0

Reference:

G.E.Ravilious, A.Nguyen, J.A.Francois, J.M.Jez. Structural Basis and Evolution of Redox Regulation in Plant Adenosine-5'-Phosphosulfate Kinase. Proc.Natl.Acad.Sci.Usa V. 109 309 2012.
ISSN: ISSN 0027-8424
PubMed: 22184237
DOI: 10.1073/PNAS.1115772108
Page generated: Mon Dec 14 08:56:40 2020

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