Calcium in PDB 6bzt: Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad

All present enzymatic activity of Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad:
3.8.1.1;

The structure of Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad, PDB code: 6bzt was solved by A.H.Pang, S.Garneau-Tsodikova, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.974, 157.462, 213.036, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.4

The structure of Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad also contains other interesting chemical elements:

Bromine	(Br)	9 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Calcium atom in the Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad (pdb code 6bzt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad, PDB code: 6bzt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca607 b:37.1 occ:1.00 OD2 A:ASP5 2.3 27.2 1.0 OD1 A:ASP5 2.9 24.8 1.0 O A:HOH956 3.0 31.9 1.0 CG A:ASP5 3.0 24.1 1.0 ND2 A:ASN28 3.5 19.1 0.5 CG A:ASN28 4.2 18.9 0.5 CB A:ASN28 4.3 18.8 0.5 CB A:ASN28 4.4 18.9 0.5 N A:ASN28 4.4 18.8 0.5 N A:ASN28 4.4 18.8 0.5 CB A:ASP5 4.5 23.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Halogenase Pltm L111Y Mutant in Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca605 b:37.1 occ:1.00 O B:HOH795 2.3 34.8 1.0 OD2 B:ASP5 2.3 27.8 1.0 OD1 B:ASN28 2.9 18.3 0.5 O B:HOH895 3.0 32.0 1.0 OD1 B:ASP5 3.0 25.7 1.0 CG B:ASP5 3.0 25.3 1.0 CG B:ASN28 3.7 18.2 0.5 CB B:ASN28 4.1 18.8 0.5 CB B:ASN28 4.2 18.2 0.5 N B:ASN28 4.3 18.2 0.5 N B:ASN28 4.3 18.4 0.5 CB B:ASP5 4.5 24.4 1.0 ND2 B:ASN28 4.6 18.2 0.5 O B:GLY26 4.9 18.8 1.0 CA B:ASN28 4.9 18.5 0.5 CA B:ASN28 4.9 18.2 0.5

S.Mori, A.H.Pang, N.Thamban Chandrika, S.Garneau-Tsodikova, O.V.Tsodikov. Unusual Substrate and Halide Versatility of Phenolic Halogenase Pltm. Nat Commun V. 10 1255 2019.
ISSN: ESSN 2041-1723
PubMed: 30890712
DOI: 10.1038/S41467-019-09215-9