Calcium in PDB 8cjd: Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase

The structure of Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase, PDB code: 8cjd was solved by S.Gafe, H.H.Niemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.86 / 1.70
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	123.79, 123.79, 88, 90, 90, 90
R / Rfree (%)	15.9 / 18.5

The structure of Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase (pdb code 8cjd). 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 Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase, PDB code: 8cjd:

Calcium binding site 1 out of 1 in the Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Aetf, A Single-Component Flavin-Dependent Tryptophan Halogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca705 b:70.9 occ:0.99 OD2 B:ASP481 2.6 56.9 1.0 OE2 B:GLU482 2.6 62.6 1.0 OE1 B:GLU482 2.8 50.2 1.0 OD1 B:ASP481 2.9 50.4 1.0 CD B:GLU482 3.1 58.5 1.0 CG B:ASP481 3.1 52.2 1.0 H B:GLY479 4.0 38.4 1.0 HA2 B:GLY479 4.1 39.5 1.0 O B:HOH807 4.3 42.0 1.0 H B:GLU482 4.6 37.1 1.0 CB B:ASP481 4.6 35.5 1.0 CG B:GLU482 4.6 42.9 1.0 N B:GLY479 4.7 32.0 1.0 CA B:GLY479 4.8 32.9 1.0 H B:ASP481 4.9 37.5 1.0 HG3 B:GLU482 4.9 51.5 1.0 HB3 B:ASP481 5.0 42.7 1.0 HB2 B:ASP481 5.0 42.7 1.0

S.Gafe, H.H.Niemann. Structural Basis of Regioselective Tryptophan Dibromination By the Single-Component Flavin-Dependent Halogenase Aetf Acta Crystallogr.,Sect.D 2023.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798323004254