Atomistry » Sodium » PDB 6g3r-6gn7 » 6gn7
Atomistry »
  Sodium »
    PDB 6g3r-6gn7 »
      6gn7 »

Sodium in PDB 6gn7: X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions.

Enzymatic activity of X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions.

All present enzymatic activity of X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions.:
3.4.21.5;

Protein crystallography data

The structure of X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions., PDB code: 6gn7 was solved by R.Troisi, I.Russo Krauss, F.Sica, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 104.51 / 2.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 67.330, 120.690, 208.940, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 20.3

Sodium Binding Sites:

The binding sites of Sodium atom in the X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions. (pdb code 6gn7). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions., PDB code: 6gn7:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 6gn7

Go back to Sodium Binding Sites List in 6gn7
Sodium binding site 1 out of 2 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Na302

b:48.5
occ:1.00
O H:ARG221 2.1 47.5 1.0
O H:HOH461 2.2 44.7 1.0
O H:LYS224 2.2 32.6 1.0
O H:HOH468 2.2 51.5 1.0
O H:HOH428 2.7 37.5 1.0
O H:HOH451 2.7 46.4 1.0
C H:ARG221 3.2 45.3 1.0
C H:LYS224 3.3 34.0 1.0
N H:LYS224 3.6 35.8 1.0
N H:ARG221 3.8 32.2 1.0
CA H:LYS224 3.9 32.5 1.0
N H:ASP222 4.0 53.1 1.0
C H:ASP221A 4.1 31.9 1.0
CA H:ARG221 4.1 36.6 1.0
CA H:ASP222 4.1 54.6 1.0
N H:GLY223 4.1 37.0 1.0
O H:TYR184A 4.2 41.1 1.0
CB H:LYS224 4.2 36.5 1.0
C H:ASP222 4.3 37.3 1.0
O H:HOH449 4.3 37.3 1.0
N H:TYR225 4.4 28.6 1.0
O H:HOH427 4.4 33.6 1.0
CA H:ASP221A 4.5 34.5 1.0
O H:ASP221A 4.5 32.2 1.0
O H:HOH404 4.6 52.8 1.0
C H:GLY223 4.7 39.6 1.0
CA H:TYR225 4.7 36.0 1.0
OD1 H:ASP221A 4.7 33.0 1.0
CD1 H:TYR225 4.9 39.3 1.0
CA H:GLY223 5.0 37.0 1.0
CE1 H:TYR225 5.0 44.9 1.0

Sodium binding site 2 out of 2 in 6gn7

Go back to Sodium Binding Sites List in 6gn7
Sodium binding site 2 out of 2 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Structure of the Complex Between Human Alpha Thrombin and NU172, A Duplex/Quadruplex 26-Mer Dna Aptamer, in the Presence of Sodium Ions. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na101

b:35.4
occ:0.60
O6 E:DG12 2.3 48.6 1.0
O6 E:DG16 2.4 41.5 1.0
O6 E:DG7 2.5 70.1 1.0
O6 E:DG11 2.5 54.8 1.0
O6 E:DG21 2.5 75.2 1.0
O6 E:DG20 2.7 59.8 1.0
O6 E:DG8 2.7 42.4 1.0
O6 E:DG17 2.8 50.1 1.0
C6 E:DG12 3.2 46.8 1.0
C6 E:DG11 3.3 55.9 1.0
C6 E:DG7 3.3 48.8 1.0
C6 E:DG16 3.4 50.0 1.0
C6 E:DG20 3.5 62.2 1.0
C6 E:DG21 3.6 83.6 1.0
C6 E:DG17 3.6 48.3 1.0
N1 E:DG12 3.6 35.6 1.0
N1 E:DG7 3.7 49.5 1.0
N1 E:DG11 3.7 49.0 1.0
C6 E:DG8 3.7 52.1 1.0
N1 E:DG16 3.8 52.3 1.0
N1 E:DG20 3.8 58.1 1.0
N1 E:DG17 3.9 44.2 1.0
N1 E:DG21 3.9 79.0 1.0
O E:HOH202 4.0 43.6 1.0
N1 E:DG8 4.2 51.1 1.0
C5 E:DG11 4.4 38.5 1.0
N1 E:DA6 4.4 45.8 1.0
N6 E:DA6 4.4 53.4 1.0
C6 E:DA6 4.5 60.4 1.0
C5 E:DG12 4.5 36.0 1.0
C5 E:DG7 4.6 47.8 1.0
C5 E:DG16 4.6 39.5 1.0
C5 E:DG20 4.7 66.4 1.0
C5 E:DG17 4.8 38.4 1.0
C5 E:DG21 4.8 75.8 1.0
C2 E:DG11 4.9 56.1 1.0
C5 E:DG8 4.9 42.7 1.0
C2 E:DG7 5.0 57.8 1.0
C2 E:DG12 5.0 43.2 1.0
N7 E:DG11 5.0 45.2 1.0

Reference:

R.Troisi, V.Napolitano, V.Spiridonova, I.Russo Krauss, F.Sica. Several Structural Motifs Cooperate in Determining the Highly Effective Anti-Thrombin Activity of NU172 Aptamer. Nucleic Acids Res. V. 46 12177 2018.
ISSN: ESSN 1362-4962
PubMed: 30357392
DOI: 10.1093/NAR/GKY990
Page generated: Tue Oct 8 09:02:44 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy