Bromine in PDB 1w99: Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis

The structure of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis, PDB code: 1w99 was solved by P.Boonserm, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.97 / 1.75
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	185.800, 185.800, 187.900, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 21.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Bromine atom in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis (pdb code 1w99). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 25 binding sites of Bromine where determined in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis, PDB code: 1w99:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1642 b:24.9 occ:0.53 N A:TYR590 3.4 21.3 1.0 CB A:ARG589 3.7 23.6 1.0 O A:TYR590 3.9 23.1 1.0 CA A:ARG589 4.0 21.9 1.0 O A:HOH2537 4.0 28.1 1.0 C A:ARG589 4.2 20.8 1.0 CG A:ARG589 4.2 26.9 1.0 CA A:TYR590 4.3 20.9 1.0 CB A:TYR590 4.4 21.2 1.0 CD A:ARG589 4.5 30.7 1.0 C A:TYR590 4.5 22.2 1.0 CD1 A:TYR590 4.5 22.2 1.0 OE1 A:GLU569 4.9 39.8 1.0 NE A:ARG271 5.0 45.2 1.0 CG A:TYR590 5.0 20.9 1.0

Bromine binding site 2 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1643 b:23.9 occ:0.53 N A:LEU317 3.3 18.9 1.0 O A:HOH2500 3.3 19.6 1.0 O A:HOH2339 3.5 21.6 1.0 CA A:HIS316 3.7 20.7 1.0 CG A:LEU317 3.9 19.3 1.0 CB A:HIS316 4.0 20.3 1.0 C A:HIS316 4.0 19.7 1.0 CB A:LEU317 4.2 19.2 1.0 CA A:LEU317 4.3 18.5 1.0 CD1 A:LEU317 4.4 20.2 1.0 OH A:TYR347 4.5 24.3 1.0 CG2 A:VAL497 4.5 18.5 1.0 O A:VAL315 4.7 23.9 1.0 CD1 A:LEU491 4.8 23.7 1.0 CE2 A:TYR347 4.9 21.9 1.0 N A:HIS316 4.9 21.6 1.0 O A:HOH2150 5.0 47.1 1.0

Bromine binding site 3 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1644 b:27.3 occ:0.27 O A:HOH2544 3.4 34.7 1.0 N A:GLY563 3.5 28.1 1.0 CA A:ARG562 3.8 26.5 1.0 O A:GLY563 3.8 30.2 1.0 C A:ARG562 4.2 28.1 1.0 CG A:ARG562 4.2 28.1 1.0 CB A:ARG562 4.2 26.9 1.0 CA A:GLY563 4.5 29.4 1.0 C A:GLY563 4.6 29.4 1.0 O A:HOH2255 4.6 41.5 1.0 O A:SER561 4.6 28.3 1.0 O A:HOH2543 5.0 36.1 1.0

Bromine binding site 4 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1645 b:29.5 occ:0.53 O A:HOH2262 3.3 46.6 1.0 O A:HOH2158 3.4 44.6 1.0 N A:ALA274 3.4 24.6 1.0 O A:HOH2249 3.4 44.8 1.0 O A:HOH2124 3.5 44.4 1.0 CB A:ALA274 4.0 27.2 1.0 CG1 A:ILE194 4.1 22.7 1.0 O A:PRO269 4.1 24.2 1.0 CA A:PRO273 4.1 23.0 1.0 C A:PRO273 4.3 23.9 1.0 CA A:ALA274 4.3 26.3 1.0 CB A:PRO269 4.4 24.1 1.0 CG2 A:ILE194 4.4 25.6 1.0 CA A:ILE194 4.5 25.6 1.0 CB A:ILE194 4.5 24.8 1.0 CB A:PRO273 4.6 23.4 1.0 C A:PRO269 4.8 22.9 1.0 O A:ALA274 4.8 28.7 1.0 CD1 A:ILE194 5.0 21.6 1.0 CA A:PRO269 5.0 22.3 1.0

Bromine binding site 5 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1646 b:30.2 occ:0.53 N A:ILE529 3.3 23.2 1.0 CB A:SER528 3.7 23.0 1.0 NE2 A:GLN474 3.9 37.2 1.0 CA A:SER528 4.0 21.0 1.0 CB A:ILE529 4.0 25.4 1.0 CG1 A:ILE529 4.1 24.9 1.0 C A:SER528 4.1 21.8 1.0 OG A:SER528 4.2 24.4 1.0 CA A:ILE529 4.2 24.5 1.0 CD1 A:ILE529 4.6 27.2 1.0 O A:ILE529 4.6 27.1 1.0 CD A:GLN474 4.7 36.1 1.0 O A:HOH2521 4.7 35.5 1.0 C A:ILE529 5.0 26.4 1.0 OE1 A:GLN474 5.0 38.8 1.0

Bromine binding site 6 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1647 b:28.2 occ:0.53 BR A:BR1653 2.9 39.9 0.5 O A:HOH2289 2.9 46.5 1.0 O A:HOH2229 3.1 39.7 1.0 O A:HOH2228 3.2 27.5 1.0 N A:ALA294 3.3 18.6 1.0 CA A:THR293 3.6 18.2 1.0 O A:ALA294 3.7 20.1 1.0 CE2 A:PHE424 3.8 21.4 1.0 NH1 A:ARG251 3.8 22.3 1.0 CB A:THR293 3.9 18.9 1.0 C A:THR293 4.0 19.7 1.0 CD1 A:ILE244 4.0 27.0 1.0 OD2 A:ASP248 4.2 27.7 1.0 NH2 A:ARG251 4.4 23.8 1.0 CA A:ALA294 4.4 16.9 1.0 CD2 A:PHE424 4.4 20.3 1.0 CZ A:ARG251 4.4 25.8 1.0 C A:ALA294 4.5 19.8 1.0 CG2 A:THR293 4.5 19.4 1.0 O A:HOH2140 4.6 33.0 1.0 CZ A:PHE424 4.6 21.6 1.0 O A:TYR292 4.8 17.4 1.0 CG1 A:ILE244 4.9 26.1 1.0 N A:THR293 4.9 17.1 1.0 O A:HOH2104 5.0 45.2 1.0

Bromine binding site 7 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1648 b:34.3 occ:0.53 O A:HOH2581 3.3 26.2 1.0 CA A:GLN558 3.3 33.6 1.0 CB A:GLN558 3.5 35.0 1.0 CG A:GLN558 3.6 37.3 1.0 C A:GLN558 4.0 33.7 1.0 O A:GLN558 4.4 33.0 1.0 N A:GLN558 4.5 30.3 1.0 N A:GLY559 4.7 32.5 1.0 CD A:GLN558 4.8 40.0 1.0 O A:HOH2583 4.8 31.6 1.0

Bromine binding site 8 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1649 b:35.9 occ:0.53 ND2 A:ASN492 3.5 25.8 1.0 CD A:ARG520 3.8 25.4 1.0 CB A:ASN492 3.8 25.3 1.0 CG A:ASN492 4.2 27.1 1.0 NE2 A:GLN613 4.2 29.2 1.0 CB A:ARG520 4.4 22.1 1.0 CD1 A:LEU517 4.4 41.9 1.0 CZ A:PHE490 4.7 33.6 1.0 CE2 A:PHE490 4.7 32.4 1.0 CG A:ARG520 4.7 24.7 1.0 NE A:ARG520 4.8 24.6 1.0 OE1 A:GLN613 4.9 28.9 1.0 CD A:GLN613 4.9 28.1 1.0

Bromine binding site 9 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1650 b:32.7 occ:0.53 O A:HOH2407 3.2 47.3 1.0 N A:SER407 3.3 19.6 0.3 N A:SER407 3.3 19.1 0.3 N A:SER407 3.3 19.4 0.3 O A:HOH2171 3.5 17.8 1.0 CA A:ALA406 3.7 18.9 1.0 O A:SER407 3.8 19.1 0.3 O A:SER407 3.8 19.2 0.3 O A:SER407 3.8 19.9 0.3 CB A:ALA406 4.0 20.6 1.0 C A:ALA406 4.0 19.9 1.0 CD1 A:ILE372 4.3 29.2 1.0 CA A:SER407 4.4 20.0 0.3 CA A:SER407 4.4 18.8 0.3 CA A:SER407 4.4 19.8 0.3 CG1 A:ILE372 4.5 27.2 1.0 C A:SER407 4.5 19.1 0.3 C A:SER407 4.5 19.8 0.3 C A:SER407 4.5 19.4 0.3 OG A:SER407 4.6 23.8 0.3 CG2 A:ILE372 4.7 25.9 1.0 O A:LEU405 4.8 22.2 1.0 O A:HOH2405 4.9 34.1 1.0 N A:ALA406 5.0 18.8 1.0

Bromine binding site 10 out of 25 in the Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Mosquito-Larvicidal Toxin CRY4BA From Bacillus Thuringiensis Ssp. Israelensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1651 b:40.0 occ:0.53 NH1 A:ARG562 3.3 29.1 1.0 CD A:ARG601 3.9 37.9 1.0 O A:HOH2546 4.1 47.1 1.0 NE A:ARG601 4.1 41.9 1.0 CD A:ARG562 4.1 27.6 1.0 CZ A:ARG562 4.5 29.6 1.0 NE A:ARG562 4.8 28.1 1.0 O A:HOH2540 4.9 28.1 1.0 CG A:ARG601 5.0 33.5 1.0

P.Boonserm, P.Davis, D.J.Ellar, J.Li. Crystal Structure of the Mosquito-Larvicidal Toxin CRY4BA and Its Biological Implications J.Mol.Biol. V. 348 363 2005.
ISSN: ISSN 0022-2836
PubMed: 15811374
DOI: 10.1016/J.JMB.2005.02.013