Silicon in PDB 9hkf: X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635

All present enzymatic activity of X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635:
2.7.11.1; 3.8.1.5;

The structure of X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635, PDB code: 9hkf was solved by J.Weidenhausen, B.Ugarte-Uribe, F.Walterspiel, C.W.Mueller, C.Deo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.36 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.737, 78.017, 81.807, 90, 103.92, 90
R / Rfree (%)	18.6 / 23.5

The structure of X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635 also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Silicon atom in the X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635 (pdb code 9hkf). This binding sites where shown within 5.0 Angstroms radius around Silicon atom.
In total 2 binding sites of Silicon where determined in the X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635, PDB code: 9hkf:
Jump to Silicon binding site number: 1; 2;

Silicon binding site 1 out of 2 in the X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 1 of X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635 within 5.0Å range: probe atom residue distance (Å) B Occ B:Si503 b:69.0 occ:1.00 SI1 B:PUJ503 0.0 69.0 1.0 C3 B:PUJ503 1.9 58.2 1.0 C1 B:PUJ503 1.9 52.9 1.0 C4 B:PUJ503 1.9 54.9 1.0 C40 B:PUJ503 1.9 48.6 1.0 C39 B:PUJ503 2.8 46.7 1.0 C12 B:PUJ503 2.8 53.1 1.0 C5 B:PUJ503 2.8 50.3 1.0 C32 B:PUJ503 2.8 48.4 1.0 C13 B:PUJ503 3.1 50.6 1.0 C6 B:PUJ503 4.1 50.7 1.0 C11 B:PUJ503 4.1 48.8 1.0 C35 B:PUJ503 4.1 47.9 1.0 NE2 A:GLN305 4.1 53.8 1.0 C33 B:PUJ503 4.2 48.2 1.0 O5 B:PUJ503 4.4 51.7 1.0 C14 B:PUJ503 4.6 45.3 1.0 C10 B:PUJ503 4.6 48.8 1.0 C34 B:PUJ503 4.7 48.8 1.0 O B:GLU310 4.9 34.2 1.0

Silicon binding site 2 out of 2 in the X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 2 of X-Ray Crystal Structure of A Photoswitchable Halotag Bound to JF635 within 5.0Å range: probe atom residue distance (Å) B Occ A:Si503 b:65.0 occ:1.00 SI1 A:PUJ503 0.0 65.0 1.0 C3 A:PUJ503 1.9 53.2 1.0 C1 A:PUJ503 1.9 46.2 1.0 C4 A:PUJ503 1.9 51.9 1.0 C40 A:PUJ503 1.9 46.3 1.0 C39 A:PUJ503 2.8 44.7 1.0 C12 A:PUJ503 2.8 48.1 1.0 C5 A:PUJ503 2.8 50.1 1.0 C32 A:PUJ503 2.8 42.1 1.0 C13 A:PUJ503 3.1 47.7 1.0 C11 A:PUJ503 4.1 43.5 1.0 C6 A:PUJ503 4.1 51.7 1.0 C35 A:PUJ503 4.1 46.3 1.0 C33 A:PUJ503 4.1 42.4 1.0 OE1 B:GLN305 4.4 51.1 1.0 O5 A:PUJ503 4.5 49.8 1.0 C14 A:PUJ503 4.5 42.1 1.0 C10 A:PUJ503 4.6 45.5 1.0 C34 A:PUJ503 4.6 44.2 1.0 O A:GLU310 4.8 32.3 1.0

F.Walterspiel, B.Ugarte-Uribe, J.Weidenhausen, M.Vincent, K.K.Narayanasamy, A.Dimitriadi, A.U.M.Khan, M.Fritsch, C.W.Muller, T.Zimmermann, C.Deo. A Photoswitchable Halotag For Spatiotemporal Control of Fluorescence in Living Cells. Angew.Chem.Int.Ed.Engl. 24955 2025.
ISSN: ESSN 1521-3773
PubMed: 41131894
DOI: 10.1002/ANIE.202424955