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Bromine in PDB 1yiy: Aedes Aegypti Kynurenine Aminotransferase

Enzymatic activity of Aedes Aegypti Kynurenine Aminotransferase

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

Protein crystallography data

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

Bromine Binding Sites:

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 1yiy

Go back to Bromine Binding Sites List in 1yiy
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 1yiy

Go back to Bromine Binding Sites List in 1yiy
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 1yiy

Go back to Bromine Binding Sites List in 1yiy
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 1yiy

Go back to Bromine Binding Sites List in 1yiy
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 1yiy

Go back to Bromine Binding Sites List in 1yiy
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

Reference:

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
Page generated: Sat Dec 12 02:04:48 2020

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