Bromine in PDB 1yiy: Aedes Aegypti Kynurenine Aminotransferase

All present enzymatic activity of Aedes Aegypti Kynurenine Aminotransferase:
2.6.1.64; 2.6.1.7;

The structure of Aedes Aegypti Kynurenine Aminotransferase, PDB code: 1yiy was solved by Q.Han, Y.G.Gao, H.Robinson, H.Ding, S.Wilson, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.358, 95.316, 167.674, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Bromine atom in the Aedes Aegypti Kynurenine Aminotransferase (pdb code 1yiy). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Aedes Aegypti Kynurenine Aminotransferase, PDB code: 1yiy:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Aedes Aegypti Kynurenine Aminotransferase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Aedes Aegypti Kynurenine Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:37.5 occ:1.00 N A:GLU230 2.9 24.7 1.0 CB A:GLU230 3.4 42.2 1.0 OG A:SER318 3.5 38.8 1.0 CA A:GLU230 3.6 38.0 1.0 CA A:PHE229 3.7 12.4 1.0 C A:PHE229 3.8 9.8 1.0 CB A:SER318 3.9 17.1 1.0 SD A:MET322 3.9 37.8 1.0 C A:SER318 4.0 8.2 1.0 O A:SER318 4.1 10.8 1.0 N A:GLY319 4.1 12.0 1.0 CD1 A:PHE229 4.2 7.7 1.0 CB A:PHE229 4.2 10.6 1.0 CA A:GLY319 4.3 13.8 1.0 CB A:MET322 4.3 15.6 1.0 CG A:GLU230 4.5 52.2 1.0 CG A:MET322 4.5 29.6 1.0 O A:VAL228 4.6 7.8 1.0 CA A:SER318 4.6 7.9 1.0 CG A:PHE229 4.7 9.1 1.0 O A:HOH649 4.8 11.2 1.0 N A:PHE229 4.9 11.5 1.0

Bromine binding site 2 out of 5 in the Aedes Aegypti Kynurenine Aminotransferase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Aedes Aegypti Kynurenine Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:42.8 occ:1.00 O A:HOH843 3.1 16.3 1.0 N A:TYR54 3.6 11.3 1.0 CB A:LYS53 3.8 6.9 1.0 N A:LYS53 3.9 10.3 1.0 CD2 A:TYR54 3.9 18.6 1.0 CA A:LYS53 4.2 9.7 1.0 CB A:TYR54 4.2 14.8 1.0 C A:LYS53 4.3 8.2 1.0 CA A:TYR54 4.4 10.3 1.0 CG A:TYR54 4.5 19.4 1.0 C A:PRO52 4.7 15.7 1.0 CE2 A:TYR54 4.8 19.8 1.0 CA A:PRO52 5.0 14.3 1.0

Bromine binding site 3 out of 5 in the Aedes Aegypti Kynurenine Aminotransferase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Aedes Aegypti Kynurenine Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br605 b:35.4 occ:0.50 O A:HOH755 3.0 9.0 1.0 N A:HIS234 3.1 3.5 1.0 CG2 A:VAL228 3.3 35.9 1.0 OE2 A:GLU233 3.4 65.5 1.0 CD A:GLU233 3.7 57.6 1.0 CB A:HIS234 3.8 5.8 1.0 CA A:GLU233 3.9 17.0 1.0 C A:GLU233 4.0 13.2 1.0 CA A:HIS234 4.1 7.3 1.0 CG A:GLU233 4.2 42.8 1.0 OE1 A:GLU233 4.3 60.0 1.0 O A:HOH670 4.3 21.7 1.0 O A:HOH656 4.4 13.9 1.0 CB A:GLU233 4.5 24.0 1.0 CB A:VAL228 4.5 17.2 1.0 CG1 A:VAL228 4.5 8.1 1.0 O A:HIS234 4.5 15.6 1.0 O A:GLU225 4.7 9.5 1.0 O A:PHE232 4.7 10.3 1.0 C A:HIS234 4.8 14.9 1.0 O A:HOH801 4.8 18.4 1.0

Bromine binding site 4 out of 5 in the Aedes Aegypti Kynurenine Aminotransferase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Aedes Aegypti Kynurenine Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:33.5 occ:1.00 OG B:SER318 3.3 17.6 1.0 N B:GLU230 3.4 13.6 1.0 O B:SER318 3.9 11.0 1.0 CA B:PHE229 3.9 10.0 1.0 C B:SER318 4.0 15.9 1.0 N B:GLY319 4.1 10.6 1.0 CG B:GLU230 4.1 30.7 1.0 CA B:GLY319 4.1 10.7 1.0 CB B:SER318 4.1 19.5 1.0 C B:PHE229 4.2 16.9 1.0 CD2 B:PHE229 4.3 11.8 1.0 CB B:GLU230 4.3 22.9 1.0 SD B:MET322 4.3 31.6 1.0 CB B:MET322 4.3 15.4 1.0 CB B:PHE229 4.4 8.4 1.0 CE B:MET322 4.5 21.4 1.0 CA B:GLU230 4.5 22.2 1.0 O B:VAL228 4.6 9.1 1.0 CA B:SER318 4.7 11.7 1.0 CG B:MET322 4.8 23.4 1.0 CG B:PHE229 4.8 11.7 1.0

Bromine binding site 5 out of 5 in the Aedes Aegypti Kynurenine Aminotransferase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Aedes Aegypti Kynurenine Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Br604 b:43.5 occ:1.00 N B:GLU245 3.2 18.0 1.0 CB B:GLU245 3.6 23.7 1.0 N B:TRP244 3.7 10.6 1.0 C B:GLY242 3.7 16.0 1.0 CA B:GLY242 3.8 14.7 1.0 CB B:TRP244 3.9 17.9 1.0 O B:GLY242 3.9 19.0 1.0 CA B:GLU245 4.0 13.6 1.0 C B:TRP244 4.0 19.2 1.0 CA B:TRP244 4.1 16.8 1.0 N B:MET243 4.2 15.1 1.0 CG B:GLU245 4.2 33.6 1.0 O B:HOH688 4.3 16.1 1.0 CD B:GLU245 4.3 38.7 1.0 O B:PRO241 4.4 39.8 1.0 C B:MET243 4.4 12.4 1.0 OE1 B:GLU245 4.5 40.7 1.0 CG B:TRP244 4.7 18.6 1.0 CD1 B:TRP244 4.8 15.3 1.0 OE2 B:GLU245 4.9 31.6 1.0 CA B:MET243 4.9 12.9 1.0

Q.Han, Y.G.Gao, H.Robinson, H.Ding, S.Wilson, J.Li. Crystal Structures of Aedes Aegypti Kynurenine Aminotransferase. Febs J. V. 272 2198 2005.
ISSN: ISSN 1742-464X
PubMed: 15853804
DOI: 10.1111/J.1742-4658.2005.04643.X