Fluorine in PDB 7w7o: The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A

Enzymatic activity of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A

All present enzymatic activity of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A:
3.4.22.52;

Protein crystallography data

The structure of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A, PDB code: 7w7o was solved by Y.Zhao, J.Zhao, M.Shao, H.Yang, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.46 / 1.59
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.126, 63.98, 99.754, 90, 90, 90
R / Rfree (%) 16.3 / 19.5

Other elements in 7w7o:

The structure of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A (pdb code 7w7o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A, PDB code: 7w7o:

Fluorine binding site 1 out of 1 in 7w7o

Go back to Fluorine Binding Sites List in 7w7o
Fluorine binding site 1 out of 1 in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:38.7
occ:1.00
 F10 A:06Q801 0.0 38.7 1.0
C09 A:06Q801 1.4 35.5 1.0
C11 A:06Q801 2.4 35.5 1.0
C08 A:06Q801 2.4 35.5 1.0
OG A:SER251 2.9 22.6 1.0
O A:HOH917 3.1 41.3 1.0
O A:HOH1061 3.2 42.8 1.0
O A:HOH932 3.5 31.6 1.0
C12 A:06Q801 3.6 33.7 1.0
C07 A:06Q801 3.7 30.6 1.0
OE2 A:GLU349 3.8 46.1 1.0
CB A:SER251 3.9 19.8 1.0
C06 A:06Q801 4.1 28.1 1.0
CG A:ARG347 4.1 30.5 1.0
CD A:ARG347 4.5 44.2 1.0
CD A:GLU349 5.0 53.2 1.0
CB A:ARG347 5.0 37.3 1.0

Reference:

Y.Zhao, J.Zhao, M.Shao, H.Yang, Z.Rao. The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A To Be Published.
Page generated: Fri Aug 2 14:44:49 2024

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