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Zinc in PDB 4dii: X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions

Enzymatic activity of X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions

All present enzymatic activity of X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions:
3.4.21.5;

Protein crystallography data

The structure of X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions, PDB code: 4dii was solved by I.Russo Krauss, A.Merlino, L.Mazzarella, F.Sica, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.05
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 43.369, 45.299, 51.519, 68.97, 86.11, 69.66
R / Rfree (%) 17.4 / 22.6

Other elements in 4dii:

The structure of X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 2 atoms
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions (pdb code 4dii). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions, PDB code: 4dii:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4dii

Go back to Zinc Binding Sites List in 4dii
Zinc binding site 1 out of 2 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Zn101

b:27.8
occ:1.00
OD1 L:ASP1A 1.9 26.4 1.0
NE2 H:HIS119 2.2 22.3 1.0
CG L:ASP1A 2.8 31.5 1.0
OD2 L:ASP1A 3.1 29.7 1.0
CE1 H:HIS119 3.1 22.4 1.0
CD2 H:HIS119 3.2 21.0 1.0
O L:HOH210 4.0 36.9 1.0
ND1 H:HIS119 4.2 22.8 1.0
CB L:ASP1A 4.3 31.6 1.0
CG H:HIS119 4.3 23.7 1.0
CD2 H:PHE114 4.5 23.6 1.0
CB H:PHE114 4.7 25.3 1.0
NZ L:LYS9 4.9 38.7 1.0

Zinc binding site 2 out of 2 in 4dii

Go back to Zinc Binding Sites List in 4dii
Zinc binding site 2 out of 2 in the X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of the Complex Between Human Alpha Thrombin and Thrombin Binding Aptamer in the Presence of Potassium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn304

b:40.2
occ:1.00
OD1 H:ASP60E 2.2 34.2 1.0
OD2 H:ASP60E 2.6 36.6 1.0
CG H:ASP60E 2.7 36.0 1.0
CL H:CL306 2.8 40.6 1.0
CL H:CL305 3.2 22.5 1.0
O H:HOH462 3.8 20.1 1.0
CB H:ASP60E 4.2 33.5 1.0
O H:ASP60E 4.6 32.6 1.0

Reference:

I.Russo Krauss, A.Merlino, A.Randazzo, E.Novellino, L.Mazzarella, F.Sica. High-Resolution Structures of Two Complexes Between Thrombin and Thrombin-Binding Aptamer Shed Light on the Role of Cations in the Aptamer Inhibitory Activity. Nucleic Acids Res. V. 40 8119 2012.
ISSN: ISSN 0305-1048
PubMed: 22669903
DOI: 10.1093/NAR/GKS512
Page generated: Sat Oct 26 21:27:20 2024

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