Magnesium in PDB 7tni: Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain

The structure of Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain, PDB code: 7tni was solved by A.J.Fisher, X.E.Wilcox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.50 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.133, 44.579, 94.797, 90, 107.16, 90
R / Rfree (%)	21.1 / 24

The binding sites of Magnesium atom in the Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain (pdb code 7tni). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain, PDB code: 7tni:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:68.7 occ:1.00 O A:HOH1619 2.4 51.8 1.0 O A:HOH1624 2.4 56.2 1.0 OD1 A:ASP1446 2.5 52.2 1.0 CG A:ASP1446 3.6 51.7 1.0 OD2 A:ASP1446 4.1 53.8 1.0 CB A:ASP1446 4.7 51.8 1.0 N A:ARG1447 4.7 46.0 1.0 O A:ARG1447 4.8 48.0 1.0 CA A:ASP1446 4.9 48.4 1.0 OE1 A:GLU1357 4.9 77.5 1.0

Magnesium binding site 2 out of 4 in the Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1501 b:85.0 occ:1.00 O B:HOH1615 1.7 56.0 1.0 O B:HOH1628 2.0 45.1 1.0 OD1 B:ASP1446 2.5 51.9 1.0 CG B:ASP1446 3.4 51.1 1.0 OD2 B:ASP1446 3.6 46.0 1.0 O B:HOH1605 4.4 61.0 1.0 OE1 B:GLU1357 4.5 50.6 0.5 NH2 B:ARG1351 4.6 92.1 1.0 CB B:ASP1446 4.7 50.0 1.0 O B:ARG1447 4.9 44.8 1.0 OE2 B:GLU1357 5.0 50.9 0.5

Magnesium binding site 3 out of 4 in the Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1501 b:53.0 occ:1.00 O C:HOH1607 1.9 51.0 1.0 O C:HOH1620 2.0 56.0 1.0 O C:HOH1653 2.1 58.1 1.0 OD1 C:ASP1446 2.1 44.7 1.0 O C:HOH1611 2.2 45.2 1.0 O C:HOH1667 2.4 58.3 1.0 CG C:ASP1446 3.0 44.1 1.0 OD2 C:ASP1446 3.4 42.7 1.0 OE1 C:GLU1357 3.9 42.9 0.5 O C:ARG1447 4.2 43.1 1.0 CB C:ASP1446 4.4 45.7 1.0 O C:HOH1609 4.4 54.0 1.0 N C:ARG1447 4.5 42.9 1.0 OE2 C:GLU1357 4.5 47.7 0.5 CD C:GLU1357 4.6 42.9 0.5 O C:HOH1640 4.7 54.9 1.0 CA C:ASP1446 4.8 44.7 1.0

Magnesium binding site 4 out of 4 in the Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of EC12 Y1392W Variant of Bt-R1 From Manduca Sexta, A CRY1A Toxin Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1501 b:60.6 occ:1.00 O D:HOH1606 2.1 50.1 1.0 O D:HOH1623 2.1 50.7 1.0 OD1 D:ASP1446 2.3 40.3 1.0 CG D:ASP1446 3.4 42.1 1.0 OD2 D:ASP1446 4.0 48.8 1.0 O D:ARG1447 4.3 40.9 1.0 N D:ARG1447 4.5 36.8 1.0 OE2 D:GLU1357 4.5 68.2 1.0 CB D:ASP1446 4.6 39.8 1.0 OE1 D:GLU1357 4.7 66.5 1.0 CA D:ASP1446 4.8 39.5 1.0

L.Liu, X.E.Wilcox, A.J.Fisher, S.D.Boyd, J.Zhi, D.D.Winkler, L.A.Bulla Jr.. Functional and Structural Analysis of the Toxin-Binding Site of the Cadherin G-Protein-Coupled Receptor, Bt-R 1 , For CRY1A Toxins of Bacillus Thuringiensis . Biochemistry V. 61 752 2022.
ISSN: ISSN 0006-2960
PubMed: 35438971
DOI: 10.1021/ACS.BIOCHEM.2C00089