Magnesium in PDB 5luk: Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica

The structure of Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica, PDB code: 5luk was solved by A.Hromic, A.Lyskowski, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.89 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.595, 50.512, 105.477, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.4

The structure of Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica (pdb code 5luk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica, PDB code: 5luk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:9.3 occ:1.00 O A:VAL25 2.3 6.8 1.0 O A:HOH404 2.3 10.0 1.0 O A:HOH507 2.4 9.8 1.0 O A:HOH534 2.6 8.5 1.0 C A:VAL25 3.4 6.8 1.0 NH1 A:ARG47 3.9 8.8 0.6 OE2 A:GLU27 4.0 12.4 0.5 N A:VAL25 4.0 5.7 1.0 CA A:VAL25 4.0 4.9 1.0 CB A:VAL25 4.0 5.2 1.0 OE1 A:GLU27 4.3 9.7 0.5 NH2 A:ARG47 4.3 6.7 0.6 NH2 A:ARG47 4.3 8.7 0.4 CD A:GLU27 4.5 9.5 0.5 N A:SER26 4.6 6.7 1.0 CZ A:ARG47 4.6 6.4 0.6 CG1 A:VAL25 4.6 7.8 1.0 OE2 A:GLU73 4.7 8.4 1.0 OE2 A:GLU27 4.8 10.6 0.5 CA A:SER26 5.0 6.8 1.0

Magnesium binding site 2 out of 2 in the Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A Double Variant of Cutinase 2 From Thermobifida Cellulosilytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:11.3 occ:1.00 O A:ALA35 2.3 11.7 1.0 O A:PHE38 2.3 10.0 1.0 O A:ARG32 2.4 10.1 1.0 O A:HOH580 2.4 20.1 1.0 O A:HOH530 2.5 15.7 1.0 O A:HOH518 2.7 21.7 1.0 C A:ALA35 3.5 9.4 1.0 C A:PHE38 3.5 8.7 1.0 C A:ARG32 3.5 8.8 1.0 CB A:ALA35 4.1 9.2 1.0 N A:PHE38 4.2 10.2 1.0 OD1 A:ASN88 4.2 13.2 1.0 CA A:ALA35 4.2 9.0 1.0 CG A:ARG32 4.2 11.8 0.4 CG A:ARG32 4.3 11.8 0.6 N A:ALA35 4.3 9.0 1.0 CA A:GLY39 4.4 8.3 1.0 CA A:ARG32 4.4 10.6 0.4 CA A:ARG32 4.4 10.5 0.6 N A:GLY39 4.4 7.2 1.0 O A:HOH466 4.4 19.6 1.0 N A:GLY37 4.5 13.9 1.0 N A:PHE33 4.5 9.5 1.0 CA A:PHE33 4.5 9.6 1.0 CA A:PHE38 4.5 8.7 1.0 N A:ASP36 4.5 10.9 1.0 CA A:ASP36 4.7 11.8 1.0 C A:GLY39 4.8 8.9 1.0 N A:GLY40 4.9 9.1 1.0 C A:ASP36 4.9 12.2 1.0 C A:PHE33 4.9 10.7 1.0 CB A:ARG32 5.0 12.0 0.4 CB A:ARG32 5.0 12.0 0.6

D.Ribitsch, A.Hromic, S.Zitzenbacher, B.Zartl, C.Gamerith, A.Pellis, A.Jungbauer, A.Yskowski, G.Steinkellner, K.Gruber, R.Tscheliessnig, E.Herrero Acero, G.M.Guebitz. Small Cause, Large Effect: Structural Characterization of Cutinases From Thermobifida Cellulosilytica. Biotechnol. Bioeng. V. 114 2481 2017.
ISSN: ESSN 1097-0290
PubMed: 28671263
DOI: 10.1002/BIT.26372