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Calcium in PDB 2v3h: Thrombin with 3-Cycle No F

Enzymatic activity of Thrombin with 3-Cycle No F

All present enzymatic activity of Thrombin with 3-Cycle No F:
3.4.21.5;

Protein crystallography data

The structure of Thrombin with 3-Cycle No F, PDB code: 2v3h was solved by D.W.Banner, U.Obst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.25 / 1.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.440, 71.780, 72.410, 90.00, 100.40, 90.00
R / Rfree (%) 17.3 / 20.7

Other elements in 2v3h:

The structure of Thrombin with 3-Cycle No F also contains other interesting chemical elements:

Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Thrombin with 3-Cycle No F (pdb code 2v3h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Thrombin with 3-Cycle No F, PDB code: 2v3h:

Calcium binding site 1 out of 1 in 2v3h

Go back to Calcium Binding Sites List in 2v3h
Calcium binding site 1 out of 1 in the Thrombin with 3-Cycle No F


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thrombin with 3-Cycle No F within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca1248

b:23.9
occ:1.00
O H:LYS169 2.6 22.3 1.0
O H:THR172 2.6 22.8 1.0
O H:HOH2239 2.8 25.9 1.0
O H:HOH2238 3.0 26.2 1.0
O H:HOH2103 3.1 39.2 1.0
C H:LYS169 3.7 23.1 1.0
C H:THR172 3.8 23.4 1.0
CA H:ASP170 4.3 22.7 1.0
N H:ASP170 4.4 21.8 1.0
O H:HOH2246 4.5 41.0 1.0
CA H:ARG173 4.5 24.8 1.0
N H:THR172 4.6 22.4 1.0
N H:ARG173 4.7 23.5 1.0
CA H:LYS169 4.7 22.9 1.0
C H:ASP170 4.7 22.4 1.0
CA H:THR172 4.8 22.8 1.0
OD1 H:ASP170 4.8 27.2 1.0
CB H:LYS169 4.9 23.0 1.0

Reference:

K.Mueller, C.Faeh, F.Diederich. Fluorine in Pharmaceuticals: Looking Beyond Intuition. Science V. 317 1881 2007.
ISSN: ISSN 0036-8075
PubMed: 17901324
DOI: 10.1126/SCIENCE.1131943
Page generated: Fri Jul 12 17:49:16 2024

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