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Calcium in PDB 7ziy: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5)

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5)

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5):
3.8.1.5;

Protein crystallography data

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5), PDB code: 7ziy was solved by M.Tarnawski, J.Kompa, K.Johnsson, J.Hiblot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.40 / 1.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.24, 46.06, 79.06, 94.41, 90, 109.51
R / Rfree (%) 19.1 / 22.4

Other elements in 7ziy:

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5) also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5) (pdb code 7ziy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5), PDB code: 7ziy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 7ziy

Go back to Calcium Binding Sites List in 7ziy
Calcium binding site 1 out of 2 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:40.6
occ:1.00
 O A:HOH514 2.2 32.3 1.0
OD1 A:ASN261 2.3 27.9 1.0
O A:HOH460 2.6 27.5 1.0
O A:HOH519 2.6 40.7 1.0
CG A:ASN261 3.5 20.4 1.0
N A:ASN261 4.1 18.9 1.0
CA A:ASN261 4.3 19.4 1.0
ND2 A:ASN261 4.3 25.7 1.0
CB A:ASN261 4.5 17.2 1.0
O A:HOH498 5.0 28.7 1.0

Calcium binding site 2 out of 2 in 7ziy

Go back to Calcium Binding Sites List in 7ziy
Calcium binding site 2 out of 2 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Pentyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr- T5) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:27.9
occ:1.00
 O B:CYS262 2.3 26.5 1.0
O B:HOH449 2.4 29.1 1.0
O B:ALA256 2.4 23.9 1.0
O B:HOH412 2.4 26.9 1.0
NZ B:LYS263 2.7 26.1 1.0
C B:CYS262 3.5 23.6 1.0
C B:ALA256 3.6 24.3 1.0
N B:CYS262 4.1 21.4 1.0
CE B:LYS263 4.2 32.3 1.0
CA B:CYS262 4.2 18.2 1.0
CB B:CYS262 4.3 19.3 1.0
CA B:LYS257 4.4 25.2 1.0
N B:LYS257 4.4 20.9 1.0
O B:HOH444 4.5 36.9 1.0
O B:LEU259 4.5 20.6 1.0
CA B:ALA256 4.5 21.4 1.0
N B:LYS263 4.6 19.5 1.0
O B:HOH462 4.7 27.9 1.0
CA B:LYS263 4.8 19.6 1.0
CB B:ALA256 4.9 20.0 1.0
CD B:LYS263 4.9 29.7 1.0
O B:HOH495 4.9 28.6 1.0
O B:LYS257 5.0 28.0 1.0
C B:LYS257 5.0 24.7 1.0

Reference:

J.Kompa, J.Bruins, M.Glogger, J.Wilhelm, M.S.Frei, M.Tarnawski, E.D’Este, M.Heilemann, J.Hiblot, K.Johnsson. Exchangeable Halotag Ligands For Super-Resolution Fluorescence Microscopy J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.2C11969
Page generated: Fri Jul 19 06:32:12 2024

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