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Magnesium in PDB 4wb3: Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin

Protein crystallography data

The structure of Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin, PDB code: 4wb3 was solved by L.Yatime, C.Maasch, K.Hoehlig, S.Klussmann, A.Vater, G.R.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.85 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 45.840, 282.630, 45.760, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19.9

Other elements in 4wb3:

The structure of Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin (pdb code 4wb3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin, PDB code: 4wb3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4wb3

Go back to Magnesium Binding Sites List in 4wb3
Magnesium binding site 1 out of 2 in the Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin


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 Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg103

b:16.0
occ:1.00
OP2 D:0U5 1.9 17.2 1.0
OP2 D:0G32 2.1 18.2 1.0
O D:HOH259 2.1 15.4 1.0
O D:HOH255 2.1 16.4 1.0
O D:HOH252 2.2 15.9 1.0
O D:HOH266 2.3 19.4 1.0
P D:0U5 3.3 18.0 1.0
P D:0G32 3.4 16.2 1.0
OP1 D:0G32 3.9 18.8 1.0
O5' D:0U5 4.0 19.8 1.0
O2' D:0C31 4.0 17.0 1.0
OP1 D:0U5 4.1 15.0 1.0
OP2 D:0G6 4.3 15.0 1.0
OP1 D:0A33 4.4 18.0 1.0
O5' D:0G32 4.4 17.6 1.0
O3' D:0C31 4.4 14.7 1.0
O D:HOH271 4.4 15.8 1.0
O3' D:0A4 4.4 16.4 1.0
N7 D:0G6 4.5 16.0 1.0
O4 D:3KA7 4.5 17.9 1.0
C4' D:0A4 4.6 19.7 1.0
C3' D:0A4 4.6 19.4 1.0
O D:HOH261 4.7 24.4 1.0
C5' D:0A4 4.7 19.0 1.0
C4' D:0G32 4.7 16.8 1.0
CA A:CA801 4.7 17.2 1.0
C3' D:0C31 4.7 13.2 1.0
C5' D:0G32 4.8 14.8 1.0
O D:HOH262 4.8 18.2 1.0
O D:HOH260 4.8 21.9 1.0
C2' D:0C31 4.9 16.0 1.0
O D:HOH268 4.9 12.3 1.0
C8 D:0G6 4.9 13.5 1.0
O D:HOH253 4.9 13.7 1.0

Magnesium binding site 2 out of 2 in 4wb3

Go back to Magnesium Binding Sites List in 4wb3
Magnesium binding site 2 out of 2 in the Crystal Structure of the Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin


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 Mirror-Image L-Rna/L-Dna Aptamer Nox-D20 in Complex with Mouse C5A-Desarg Complement Anaphylatoxin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg103

b:26.5
occ:1.00
OP1 E:0U5 1.9 33.2 1.0
O E:HOH206 2.1 20.6 1.0
OP1 E:0G32 2.1 28.8 1.0
O E:HOH207 2.1 26.2 1.0
O E:HOH208 2.2 25.3 1.0
O E:HOH213 2.2 21.7 1.0
P E:0U5 3.3 25.5 1.0
P E:0G32 3.4 31.7 1.0
OP2 E:0G32 3.8 38.1 1.0
O5' E:0U5 4.0 28.1 1.0
O2' E:0C31 4.0 34.7 1.0
OP2 E:0U5 4.0 26.1 1.0
OP1 E:0G6 4.3 25.3 1.0
O5' E:0G32 4.3 33.7 1.0
O E:HOH237 4.4 27.0 1.0
N7 E:0G6 4.4 28.6 1.0
O3' E:0C31 4.4 29.8 1.0
O4 E:3KA7 4.4 30.6 1.0
O3' E:0A4 4.5 30.2 1.0
OP2 E:0A33 4.5 29.6 1.0
C4' E:0A4 4.6 26.9 1.0
C3' E:0A4 4.7 28.3 1.0
O E:HOH229 4.7 32.4 1.0
CA C:CA801 4.7 26.2 1.0
O E:HOH217 4.7 27.5 1.0
C5' E:0A4 4.8 26.9 1.0
C4' E:0G32 4.8 30.3 1.0
C2' E:0C31 4.8 31.8 1.0
C3' E:0C31 4.8 29.9 1.0
C5' E:0G32 4.8 30.5 1.0
O E:HOH247 4.8 28.2 1.0
C8 E:0G6 4.9 24.3 1.0
O E:HOH230 5.0 29.3 1.0
O E:HOH218 5.0 29.1 1.0

Reference:

L.Yatime, C.Maasch, K.Hoehlig, S.Klussmann, G.R.Andersen, A.Vater. Structural Basis For the Targeting of Complement Anaphylatoxin C5A Using A Mixed L-Rna/L-Dna Aptamer. Nat Commun V. 6 6481 2015.
ISSN: ESSN 2041-1723
PubMed: 25901944
DOI: 10.1038/NCOMMS7481
Page generated: Tue Aug 20 13:09:57 2024

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