Calcium in PDB 6sms: Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis

The structure of Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis, PDB code: 6sms was solved by P.J.Rizkallah, H.S.Al-Maslookhi, C.Berry, D.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.29 / 1.47
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.17, 176.24, 48.78, 90, 90, 90
R / Rfree (%)	15.6 / 19.8

The binding sites of Calcium atom in the Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis (pdb code 6sms). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis, PDB code: 6sms:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:6.2 occ:1.00 OD2 A:ASP199 2.2 19.0 1.0 OD2 A:ASP250 2.2 16.4 1.0 OD2 A:ASP201 2.3 18.9 1.0 OE2 A:GLU208 2.4 18.9 1.0 O A:ASP240 2.4 18.9 1.0 O A:ASN237 2.4 18.9 1.0 OE1 A:GLU208 2.8 18.8 1.0 CD A:GLU208 2.9 17.6 1.0 CG A:ASP201 3.4 17.9 1.0 CG A:ASP199 3.4 18.9 1.0 C A:ASP240 3.4 20.1 1.0 CG A:ASP250 3.4 17.9 1.0 C A:ASN237 3.5 19.3 1.0 OD1 A:ASP199 3.9 18.8 1.0 CA A:SER241 4.0 18.5 1.0 OD1 A:ASP201 4.0 18.1 1.0 CB A:ASP250 4.0 17.2 1.0 N A:SER241 4.1 19.5 1.0 N A:ASP240 4.2 20.4 1.0 OG1 A:THR243 4.2 18.2 1.0 CA A:CA802 4.3 6.4 1.0 N A:ASN237 4.3 18.2 1.0 CA A:PRO238 4.3 18.4 1.0 N A:PRO238 4.4 18.2 1.0 CG A:GLU208 4.4 18.3 1.0 CB A:ASP201 4.4 19.2 1.0 CA A:ASP240 4.4 20.2 1.0 CA A:ASN237 4.4 18.5 1.0 C A:PRO238 4.5 18.9 1.0 C A:SER241 4.5 18.8 1.0 OD1 A:ASP250 4.5 19.4 1.0 OG A:SER236 4.5 17.9 1.0 CB A:ASP199 4.7 20.1 1.0 O A:SER241 4.7 19.1 1.0 CB A:SER236 4.7 18.2 1.0 O A:PRO238 4.8 20.5 1.0 CB A:ASN237 4.8 19.3 1.0 N A:LEU239 4.9 20.2 1.0 C A:SER236 4.9 17.3 1.0

Calcium binding site 2 out of 3 in the Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:6.4 occ:1.00 OD1 A:ASP197 2.2 19.2 1.0 OE1 A:GLU208 2.3 18.8 1.0 OD1 A:ASP201 2.3 18.1 1.0 OD1 A:ASP199 2.3 18.8 1.0 O A:ILE203 2.3 17.9 1.0 O A:HOH929 2.4 7.1 1.0 CG A:ASP201 3.2 17.9 1.0 CG A:ASP199 3.3 18.9 1.0 CG A:ASP197 3.4 16.4 1.0 C A:ILE203 3.5 18.1 1.0 CD A:GLU208 3.5 17.6 1.0 OD2 A:ASP199 3.6 19.0 1.0 OD2 A:ASP201 3.6 18.9 1.0 N A:ILE203 3.9 18.0 1.0 N A:ASP201 4.0 18.4 1.0 CA A:ILE203 4.1 16.5 1.0 CG A:GLU208 4.2 18.3 1.0 OD2 A:ASP197 4.3 19.2 1.0 CA A:CA801 4.3 6.2 1.0 CB A:ASP201 4.3 19.2 1.0 CB A:ILE203 4.3 17.6 1.0 O A:PRO238 4.4 20.5 1.0 CA A:ASP197 4.4 19.7 1.0 CB A:ASP197 4.4 19.3 1.0 N A:ASP199 4.4 19.5 1.0 OE2 A:GLU208 4.5 18.9 1.0 C A:PRO204 4.5 17.5 1.0 N A:SER202 4.5 17.6 1.0 CA A:ASP201 4.5 18.6 1.0 N A:PRO204 4.5 18.2 1.0 N A:ASP205 4.6 19.7 1.0 N A:GLY200 4.6 19.4 1.0 CB A:ASP199 4.6 20.1 1.0 OD1 A:ASP205 4.6 23.6 1.0 C A:ASP197 4.6 19.8 1.0 C A:ASP201 4.7 17.9 1.0 CA A:PRO204 4.7 18.0 1.0 O A:PRO204 4.8 18.7 1.0 N A:THR198 4.8 20.9 1.0 CA A:ASP199 4.8 19.0 1.0 C A:SER202 4.9 17.3 1.0 C A:ASP199 4.9 18.8 1.0 CA A:PRO238 4.9 18.4 1.0

Calcium binding site 3 out of 3 in the Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Vegetative Insecticidal Protein 1 (VIP1AC1) From Bacillus Thuringiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:7.0 occ:0.50 O A:HOH1100 2.3 10.3 1.0 O A:ASP565 2.3 26.1 1.0 O A:GLN562 2.5 21.4 1.0 O A:VAL573 2.5 24.3 1.0 O A:PHE570 2.6 22.4 1.0 O A:ILE563 2.7 26.1 1.0 C A:ILE563 3.3 23.5 1.0 C A:ASP565 3.4 25.7 1.0 C A:VAL573 3.6 25.2 1.0 C A:GLN562 3.6 20.3 1.0 CA A:ILE563 3.6 22.6 1.0 C A:PHE570 3.6 21.8 1.0 N A:VAL573 3.9 26.3 1.0 N A:ASP565 3.9 23.6 1.0 O A:LYS571 4.1 35.9 1.0 C A:LYS571 4.1 28.0 1.0 CA A:VAL573 4.1 23.5 1.0 N A:ILE563 4.1 21.9 1.0 CA A:ASP565 4.1 24.2 1.0 CB A:VAL573 4.1 22.7 1.0 CA A:LYS571 4.2 27.5 1.0 N A:ASN564 4.3 23.1 1.0 CB A:ASP565 4.3 24.8 1.0 O A:HOH1070 4.4 43.6 1.0 N A:LYS571 4.4 23.8 1.0 CB A:PHE570 4.4 22.1 1.0 N A:LYS566 4.4 27.9 1.0 C A:ASN564 4.5 26.1 1.0 CA A:PHE570 4.6 21.2 1.0 N A:ASP572 4.7 28.2 1.0 CA A:LYS566 4.7 31.1 1.0 N A:GLN574 4.7 26.2 1.0 O A:HOH989 4.7 42.3 1.0 CA A:GLN562 4.8 19.8 1.0 C A:ASP572 4.9 32.3 1.0 CA A:ASN564 4.9 25.6 1.0 CB A:ILE563 5.0 23.1 1.0 CG1 A:VAL573 5.0 21.9 1.0

P.J.Rizkallah, H.S.Al Maslookhi. Bacillus Thuringiensis Insecticidal Protein 1AC, VIP1AC Not Published.