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Potassium in PDB 7zkn: X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma

Enzymatic activity of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma

All present enzymatic activity of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma:
3.4.21.5;

Protein crystallography data

The structure of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma, PDB code: 7zkn was solved by R.Troisi, F.Sica, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.13 / 3.03
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.62, 114.86, 83.44, 90, 117.25, 90
R / Rfree (%) 20.1 / 24.3

Potassium Binding Sites:

The binding sites of Potassium atom in the X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma (pdb code 7zkn). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma, PDB code: 7zkn:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 7zkn

Go back to Potassium Binding Sites List in 7zkn
Potassium binding site 1 out of 4 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K103

b:84.3
occ:1.00
O6 E:DG10 2.7 62.2 1.0
O6 E:DG6 2.8 118.3 1.0
O6 E:DG1 2.9 67.3 1.0
O6 E:DG5 2.9 88.0 1.0
O6 E:DG14 3.0 55.9 1.0
O6 E:DG15 3.1 61.3 1.0
O6 E:DG2 3.2 65.6 1.0
O6 E:DG11 3.3 73.7 1.0
N1 E:DG1 3.6 69.6 1.0
N1 E:DG6 3.6 106.8 1.0
C6 E:DG6 3.6 115.6 1.0
C6 E:DG1 3.6 71.4 1.0
C6 E:DG10 3.6 63.5 1.0
N1 E:DG15 3.7 62.4 1.0
C6 E:DG5 3.7 92.2 1.0
C6 E:DG15 3.8 64.1 1.0
C6 E:DG14 3.9 58.5 1.0
N1 E:DG10 3.9 61.7 1.0
N1 E:DG5 4.0 93.4 1.0
C6 E:DG2 4.0 62.7 1.0
C6 E:DG11 4.2 72.9 1.0
N1 E:DG2 4.3 62.6 1.0
N1 E:DG11 4.3 71.2 1.0
C36 E:JL0101 4.3 91.0 1.0
N1 E:DG14 4.3 59.1 1.0
O E:HOH201 4.4 71.4 1.0
C35 E:JL0101 4.6 92.8 1.0
C37 E:JL0101 4.7 90.8 1.0
C5 E:DG5 4.8 94.7 1.0
C2 E:DG1 4.8 70.1 1.0
C2 E:DG6 4.8 102.2 1.0
C2 E:DG15 4.9 63.4 1.0
C5 E:DG14 4.9 60.1 1.0
C5 E:DG10 4.9 64.4 1.0
C5 E:DG6 5.0 115.2 1.0
C5 E:DG1 5.0 73.2 1.0

Potassium binding site 2 out of 4 in 7zkn

Go back to Potassium Binding Sites List in 7zkn
Potassium binding site 2 out of 4 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K103

b:78.9
occ:1.00
O6 F:DG1 2.6 71.3 1.0
O6 F:DG5 2.7 72.5 1.0
O6 F:DG15 2.8 54.5 1.0
O6 F:DG10 2.8 46.3 1.0
O6 F:DG6 3.0 86.1 1.0
O6 F:DG2 3.1 67.7 1.0
O6 F:DG11 3.1 70.5 1.0
O6 F:DG14 3.2 46.3 1.0
N1 F:DG15 3.2 56.5 1.0
C6 F:DG15 3.4 58.5 1.0
C6 F:DG1 3.5 74.2 1.0
C6 F:DG5 3.6 75.1 1.0
C6 F:DG10 3.6 46.1 1.0
N1 F:DG1 3.7 73.4 1.0
N1 F:DG10 3.7 44.0 1.0
C6 F:DG6 3.9 91.0 1.0
N1 F:DG6 3.9 86.3 1.0
C6 F:DG11 3.9 70.9 1.0
C6 F:DG14 4.0 48.6 1.0
C6 F:DG2 4.0 69.8 1.0
N1 F:DG11 4.1 68.3 1.0
N1 F:DG5 4.1 71.1 1.0
C36 F:JL0101 4.1 79.8 1.0
N1 F:DG14 4.2 46.9 1.0
C37 F:JL0101 4.2 82.4 1.0
N1 F:DG2 4.3 69.1 1.0
C35 F:JL0101 4.3 78.7 1.0
C2 F:DG15 4.5 58.9 1.0
C42 F:JL0101 4.5 79.4 1.0
C34 F:JL0101 4.6 76.9 1.0
C5 F:DG5 4.7 77.3 1.0
C38 F:JL0101 4.7 86.8 1.0
C43 F:JL0101 4.7 76.2 1.0
N2 F:DG15 4.8 56.2 1.0
C5 F:DG1 4.8 75.5 1.0
C5 F:DG15 4.8 60.1 1.0
C5 F:DG10 5.0 48.6 1.0

Potassium binding site 3 out of 4 in 7zkn

Go back to Potassium Binding Sites List in 7zkn
Potassium binding site 3 out of 4 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K103

b:76.2
occ:1.00
O6 G:DG1 2.5 58.4 1.0
O6 G:DG10 2.6 67.9 1.0
O6 G:DG14 2.9 52.5 1.0
O6 G:DG5 3.0 71.0 1.0
O6 G:DG15 3.0 57.8 1.0
O6 G:DG11 3.2 69.9 1.0
O6 G:DG2 3.3 51.9 1.0
C6 G:DG1 3.4 64.0 1.0
O6 G:DG6 3.4 86.0 1.0
C6 G:DG10 3.5 65.2 1.0
N1 G:DG15 3.5 57.5 1.0
C6 G:DG14 3.7 54.7 1.0
C6 G:DG15 3.7 59.8 1.0
N1 G:DG1 3.7 65.0 1.0
N1 G:DG10 3.7 59.9 1.0
C6 G:DG5 3.7 74.6 1.0
N1 G:DG6 3.8 87.4 1.0
N1 G:DG14 3.9 54.4 1.0
N1 G:DG5 4.0 72.8 1.0
C6 G:DG11 4.1 67.5 1.0
C6 G:DG6 4.1 89.2 1.0
C6 G:DG2 4.1 48.9 1.0
C36 G:JL0101 4.1 77.6 1.0
N1 G:DG11 4.2 64.5 1.0
N1 G:DG2 4.2 47.3 1.0
C35 G:JL0101 4.2 77.5 1.0
C37 G:JL0101 4.5 77.8 1.0
O G:HOH201 4.6 74.2 1.0
C34 G:JL0101 4.7 80.7 1.0
C5 G:DG1 4.7 65.3 1.0
C2 G:DG15 4.7 60.2 1.0
C5 G:DG14 4.8 56.2 1.0
C5 G:DG10 4.8 66.2 1.0
C5 G:DG5 4.9 77.9 1.0
C42 G:JL0101 4.9 76.8 1.0

Potassium binding site 4 out of 4 in 7zkn

Go back to Potassium Binding Sites List in 7zkn
Potassium binding site 4 out of 4 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of X-Ray Structure of the Complex Between Human Alpha Thrombin and A Pseudo-Cyclic Thrombin Binding Aptamer (Tba-Nnp/Ddp) - Crystal Form Gamma within 5.0Å range:
probe atom residue distance (Å) B Occ
I:K103

b:91.5
occ:1.00
O6 I:DG1 2.5 85.3 1.0
O6 I:DG10 2.5 64.9 1.0
O6 I:DG5 2.6 101.5 1.0
O6 I:DG14 2.9 58.0 1.0
O6 I:DG15 3.0 47.8 1.0
O6 I:DG6 3.1 111.6 1.0
O6 I:DG11 3.2 72.0 1.0
O6 I:DG2 3.2 61.6 1.0
C6 I:DG1 3.4 84.9 1.0
C6 I:DG5 3.4 103.9 1.0
C6 I:DG10 3.5 65.4 1.0
N1 I:DG1 3.6 79.5 1.0
N1 I:DG15 3.6 44.9 1.0
C6 I:DG15 3.7 48.2 1.0
N1 I:DG10 3.7 63.9 1.0
C6 I:DG14 3.7 57.1 1.0
N1 I:DG5 3.9 101.0 1.0
C6 I:DG6 3.9 114.1 1.0
N1 I:DG6 4.0 108.0 1.0
N1 I:DG14 4.0 53.1 1.0
C6 I:DG11 4.1 76.0 1.0
C6 I:DG2 4.1 64.1 1.0
C36 I:JL0101 4.2 74.2 1.0
N1 I:DG11 4.3 75.4 1.0
N1 I:DG2 4.3 62.1 1.0
C35 I:JL0101 4.3 71.6 1.0
C5 I:DG5 4.6 102.9 1.0
C37 I:JL0101 4.7 73.4 1.0
C5 I:DG1 4.7 82.4 1.0
C5 I:DG10 4.7 68.1 1.0
C2 I:DG15 4.9 47.1 1.0
C2 I:DG1 4.9 80.3 1.0
C34 I:JL0101 4.9 73.7 1.0
C5 I:DG14 5.0 56.5 1.0

Reference:

R.Troisi, C.Riccardi, K.Perez De Carvasal, M.Smietana, F.Morvan, P.Del Vecchio, D.Montesarchio, F.Sica. A Terminal Functionalization Strategy Reveals Unusual Binding Abilities of Anti-Thrombin Anticoagulant Aptamers. Mol Ther Nucleic Acids V. 30 585 2022.
ISSN: ISSN 2162-2531
PubMed: 36457701
DOI: 10.1016/J.OMTN.2022.11.007
Page generated: Mon Aug 12 21:50:12 2024

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