Fluorine in PDB 7wr5: Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+

All present enzymatic activity of Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+:
3.4.22.57;

The structure of Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+, PDB code: 7wr5 was solved by Y.J.Hou, H.Zeng, F.Shao, J.Ding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.07 / 3.10
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.317, 120.074, 141.475, 90, 90, 90
R / Rfree (%)	22.6 / 27.2

The binding sites of Fluorine atom in the Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+ (pdb code 7wr5). 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 Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+, PDB code: 7wr5:

Fluorine binding site 1 out of 1 in the Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of OSPC3-Calmodulin-Caspase-4 Complex Binding with 2'-Af-Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:90.0 occ:1.00 F2D A:5ZV501 0.0 90.0 1.0 C2D A:5ZV501 1.4 94.4 1.0 C3D A:5ZV501 2.2 103.2 1.0 C1D A:5ZV501 2.6 93.2 1.0 C6N A:5ZV501 2.8 82.2 1.0 N1N A:5ZV501 2.9 92.3 1.0 CD1 A:PHE188 2.9 66.8 1.0 O3D A:5ZV501 3.1 113.5 1.0 OE2 A:GLU326 3.2 68.2 1.0 CG A:PHE188 3.3 68.2 1.0 OE1 A:GLU326 3.3 72.8 1.0 CD A:GLU326 3.4 70.5 1.0 CE1 A:PHE188 3.4 69.4 1.0 C4D A:5ZV501 3.5 98.3 1.0 O4D A:5ZV501 3.5 99.4 1.0 OD1 A:ASP231 3.5 77.8 1.0 CB A:PHE188 3.7 69.7 1.0 C5N A:5ZV501 3.9 74.2 1.0 CD2 A:PHE188 4.0 73.0 1.0 C2N A:5ZV501 4.0 91.5 1.0 CZ A:PHE188 4.1 72.2 1.0 CG A:ASP231 4.3 77.6 1.0 C5D A:5ZV501 4.3 103.0 1.0 CE2 A:PHE188 4.3 73.2 1.0 CG A:GLU326 4.5 70.1 1.0 OD2 A:ASP231 4.5 83.8 1.0 C4N A:5ZV501 4.8 67.5 1.0 C3N A:5ZV501 4.9 74.4 1.0

Y.Hou, H.Zeng, Z.Li, N.Feng, F.Meng, Y.Xu, L.Li, F.Shao, J.Ding. Structural Mechanisms of Calmodulin Activation of Shigella Effector OSPC3 to Adp-Riboxanate Caspase-4/11 and Block Pyroptosis Nat.Struct.Mol.Biol. 2023.
ISSN: ESSN 1545-9985
DOI: 10.1038/S41594-022-00888-3