Calcium in PDB 6bzz: Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad

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

The structure of Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad, PDB code: 6bzz 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)	40.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.815, 157.234, 214.008, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 24.5

The binding sites of Calcium atom in the Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad (pdb code 6bzz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad, PDB code: 6bzz:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Halogenase Pltm in Complex with Partially Bound 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 in Complex with Partially Bound Fad within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:25.0 occ:1.00 O A:HOH824 2.3 25.2 1.0 OD2 A:ASP5 2.3 22.0 1.0 OD1 A:ASP5 2.8 21.5 1.0 CG A:ASP5 2.9 21.2 1.0 CB A:ASN28 4.3 18.7 1.0 CB A:ASP5 4.3 20.9 1.0 N A:ASN28 4.4 17.4 1.0 N A:ASP5 4.8 22.0 1.0 CA A:ASP5 4.9 20.8 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Halogenase Pltm in Complex with Partially Bound 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 in Complex with Partially Bound Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:24.6 occ:1.00 O B:HOH782 2.3 25.4 1.0 OD2 B:ASP5 2.3 23.0 1.0 OD1 B:ASP5 2.9 22.8 1.0 CG B:ASP5 2.9 22.8 1.0 CB B:ASN28 4.3 20.3 1.0 CB B:ASP5 4.4 22.8 1.0 N B:ASN28 4.4 19.5 1.0 N B:ASP5 5.0 24.0 1.0 O B:GLY26 5.0 19.5 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca602 b:22.0 occ:1.00 O C:HOH810 2.3 22.8 1.0 O C:HOH744 2.3 22.4 1.0 OD2 C:ASP5 2.3 20.5 1.0 OD1 C:ASP5 2.9 20.6 1.0 CG C:ASP5 2.9 20.1 1.0 CB C:ASN28 4.3 17.7 1.0 N C:ASN28 4.4 17.0 1.0 CB C:ASP5 4.4 19.9 1.0 O C:GLY26 4.9 17.2 1.0 N C:ASP5 4.9 20.7 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Halogenase Pltm in Complex with Partially Bound Fad within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca602 b:23.7 occ:1.00 O D:HOH773 2.3 23.9 1.0 OD2 D:ASP5 2.3 21.9 1.0 OD1 D:ASP5 2.9 21.7 1.0 CG D:ASP5 3.0 21.5 1.0 CB D:ASN28 4.0 19.9 1.0 CB D:ASP5 4.4 21.1 1.0 N D:ASN28 4.4 18.2 1.0 CG D:ASN28 4.8 20.8 1.0 CA D:ASN28 4.9 19.1 1.0 OD1 D:ASN28 4.9 22.0 1.0 N D:ASP5 5.0 21.7 1.0 O D:GLY26 5.0 17.2 1.0

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