Calcium in PDB 9biw: Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae

The structure of Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae, PDB code: 9biw was solved by S.K.Gill, S.N.Sugiman-Marangos, R.A.Melnyk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.27 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.236, 138.835, 152.109, 90, 90, 90
R / Rfree (%)	23.6 / 26.8

The binding sites of Calcium atom in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae (pdb code 9biw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae, PDB code: 9biw:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


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 Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:35.2 occ:1.00 OE1 A:GLU364 2.5 27.6 1.0 OE1 A:GLN361 2.9 32.2 1.0 CD A:GLU364 2.9 27.6 1.0 OE2 A:GLU364 2.9 27.8 1.0 NE2 A:GLN361 3.2 33.6 1.0 CD A:GLN361 3.4 31.9 1.0 CG A:GLU364 4.1 26.9 1.0 O A:HOH800 4.2 34.8 1.0 O A:HOH721 4.5 21.4 1.0 CE1 A:TYR360 4.7 24.9 1.0 CG A:GLN361 4.8 30.1 1.0

Calcium binding site 2 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


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 Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:97.9 occ:1.00 O A:ASP147 2.5 41.0 1.0 O A:HOH860 2.5 23.5 1.0 O A:THR145 2.5 48.1 1.0 OD2 A:ASP143 2.6 64.1 1.0 OD1 A:ASP143 2.8 64.4 1.0 CG A:ASP143 3.0 62.9 1.0 OG1 A:THR145 3.4 44.8 1.0 C A:THR145 3.5 47.9 1.0 C A:ASP147 3.6 38.3 1.0 N A:ASP147 3.8 41.4 1.0 O A:HOH733 4.0 51.4 1.0 O A:ASP143 4.0 59.4 1.0 C A:GLU146 4.3 43.4 1.0 CA A:ASP147 4.3 40.2 1.0 O A:HOH759 4.3 21.2 1.0 CA A:THR145 4.3 49.2 1.0 N A:GLU146 4.4 47.0 1.0 N A:THR145 4.4 53.1 1.0 CB A:ASP143 4.4 59.6 1.0 CA A:GLU146 4.4 46.1 1.0 CB A:THR145 4.5 46.5 1.0 C A:ASP143 4.6 58.0 1.0 N A:ASP143 4.6 57.6 1.0 N A:SER148 4.7 34.2 1.0 CA A:ASP143 4.8 58.3 1.0 CB A:ASP147 4.9 41.3 1.0 O A:HOH812 4.9 50.8 1.0 CA A:SER148 4.9 31.4 1.0

Calcium binding site 3 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


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 Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:97.5 occ:1.00 O A:HOH883 2.4 54.8 1.0 OD1 A:ASN120 2.4 41.0 1.0 O A:ASP117 2.6 40.3 1.0 CG A:ASN120 3.4 39.7 1.0 C A:ASP117 3.7 36.8 1.0 ND2 A:ASN120 3.8 38.4 1.0 CA A:GLN118 3.9 36.6 1.0 N A:GLN118 4.3 35.9 1.0 C A:GLN118 4.5 35.6 1.0 C A:ASN120 4.6 41.6 1.0 ND2 A:ASN153 4.6 26.4 1.0 N A:ASP121 4.6 42.5 1.0 N A:ASN120 4.6 37.9 1.0 CB A:ASN120 4.6 39.9 1.0 CA A:ASN120 4.8 39.9 1.0 O A:ASN120 4.8 41.5 1.0 O A:GLN118 4.9 37.1 1.0 CA A:ASP117 4.9 34.3 1.0

Calcium binding site 4 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


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 Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca604 b:109.7 occ:1.00 O A:VAL518 2.5 44.8 1.0 OE1 A:GLU519 3.0 61.6 1.0 CD A:GLU519 3.3 61.6 1.0 C A:VAL518 3.7 46.2 1.0 OE2 A:GLU519 3.8 63.1 1.0 CG A:GLU519 4.2 59.3 1.0 CA A:GLU519 4.4 57.2 1.0 N A:GLU519 4.5 51.1 1.0 CA A:VAL518 4.8 43.7 1.0 CB A:GLU519 4.8 58.7 1.0 N A:VAL518 4.9 40.4 1.0

Calcium binding site 5 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:37.6 occ:1.00 OE2 B:GLU364 2.4 47.1 1.0 OE1 B:GLN361 2.4 25.4 1.0 CD B:GLU364 3.2 47.1 1.0 OE1 B:GLU364 3.3 50.2 1.0 CD B:GLN361 3.5 28.2 1.0 NE2 B:GLN361 3.9 29.2 1.0 O B:HOH836 4.4 32.8 1.0 O B:HOH701 4.6 26.0 1.0 CG B:GLU364 4.6 38.6 1.0 CG B:GLN361 4.8 29.9 1.0

Calcium binding site 6 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:60.6 occ:1.00 OE1 B:GLU40 2.5 41.4 1.0 CD B:GLU40 3.6 40.3 1.0 OE2 B:GLU40 4.3 40.5 1.0 O B:GLU40 4.5 37.9 1.0 CG B:GLU40 4.7 39.0 1.0 CB B:GLU40 4.7 37.8 1.0

Calcium binding site 7 out of 7 in the Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Chelona Toxin, A Diphtheria Toxin Homolog, From Austwickia Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:58.9 occ:1.00 O B:HOH866 2.2 58.5 1.0 OD1 B:ASN212 2.3 36.7 1.0 O B:HOH776 2.5 22.3 1.0 CG B:ASN212 3.3 36.3 1.0 ND2 B:ASN212 3.7 36.7 1.0 OD1 B:ASN209 4.3 33.0 1.0 CB B:ASN212 4.6 35.6 1.0 CD B:LYS211 4.8 33.7 1.0 CA B:ASN212 4.9 33.0 1.0 N B:ASN212 4.9 31.4 1.0 CG B:ASN209 5.0 32.6 1.0

S.K.Gill, S.N.Sugiman-Marangos, G.Beilhartz, E.Mei, M.Taipale, R.A.Melnyk. A Diphtheria Toxin-Like Intracellular Delivery Platform That Evades Pre-Existing Antidrug Antibodies Embo Mol Med.
ISSN: ESSN 1757-4684