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Bromine in PDB 2j6l: Structure of Aminoadipate-Semialdehyde Dehydrogenase

Enzymatic activity of Structure of Aminoadipate-Semialdehyde Dehydrogenase

All present enzymatic activity of Structure of Aminoadipate-Semialdehyde Dehydrogenase:
1.2.1.3;

Protein crystallography data

The structure of Structure of Aminoadipate-Semialdehyde Dehydrogenase, PDB code: 2j6l was solved by G.Bunkoczi, K.Guo, J.E.Debreczeni, C.Smee, C.Arrowsmith, A.Edwards, M.Sundstrom, J.Weigelt, F.Von Delft, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.3
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 155.289, 162.326, 159.016, 90.00, 94.17, 90.00
R / Rfree (%) 13.7 / 18.9

Other elements in 2j6l:

The structure of Structure of Aminoadipate-Semialdehyde Dehydrogenase also contains other interesting chemical elements:

Sodium (Na) 8 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Bromine atom in the Structure of Aminoadipate-Semialdehyde Dehydrogenase (pdb code 2j6l). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 15 binding sites of Bromine where determined in the Structure of Aminoadipate-Semialdehyde Dehydrogenase, PDB code: 2j6l:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 15 in 2j6l

Go back to Bromine Binding Sites List in 2j6l
Bromine binding site 1 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1502

b:20.0
occ:0.50
 OG A:SER352 3.1 14.2 1.0
O F:HOH2244 3.3 27.8 1.0
OE1 A:GLN349 3.3 45.3 1.0
SD F:MET353 3.3 25.1 0.5
O F:HOH2466 3.4 18.3 1.0
CA A:GLN349 3.7 13.7 1.0
CD A:GLN349 3.8 38.1 1.0
N A:GLN349 3.9 13.3 1.0
CA F:MET353 3.9 13.8 1.0
O A:LYS348 3.9 15.4 1.0
CB A:SER352 4.0 11.4 1.0
C A:LYS348 4.0 14.3 1.0
CG A:LYS348 4.1 20.2 1.0
CA F:GLY356 4.1 15.3 1.0
CG F:MET353 4.1 13.7 0.5
O F:SER352 4.2 13.2 1.0
CB A:GLN349 4.3 16.1 1.0
NE2 A:GLN349 4.3 43.0 1.0
CE F:MET353 4.4 24.3 0.5
CG F:MET353 4.4 20.6 0.5
O F:HOH2468 4.4 38.5 1.0
O F:MET353 4.4 14.0 1.0
CB F:MET353 4.4 13.3 0.5
CB F:MET353 4.5 15.4 0.5
N F:MET353 4.6 12.3 1.0
CB A:LYS348 4.6 16.3 1.0
C F:MET353 4.7 13.6 1.0
CG A:GLN349 4.7 24.8 1.0
C F:SER352 4.7 13.2 1.0
N F:GLY356 4.7 13.1 1.0
C A:GLN349 4.8 11.3 1.0
C F:GLY356 4.9 14.5 1.0
O A:HOH2467 5.0 20.0 1.0
O A:GLN349 5.0 13.2 1.0
CA A:LYS348 5.0 14.5 1.0

Bromine binding site 2 out of 15 in 2j6l

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Bromine binding site 2 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1503

b:27.0
occ:0.50
 CG A:PRO459 3.6 23.2 1.0
N A:GLY462 3.6 20.9 1.0
CD A:PRO459 3.7 16.2 1.0
CA A:GLY462 3.8 21.1 1.0
C A:SER461 3.8 19.7 1.0
CE2 A:PHE293 4.0 21.4 1.0
CG1 A:ILE458 4.0 14.5 1.0
OG A:SER461 4.1 21.2 0.6
O A:SER461 4.1 21.4 1.0
CD2 A:PHE293 4.2 20.1 1.0
CD1 A:ILE458 4.3 16.9 1.0
CB A:SER461 4.5 18.6 0.4
CA A:SER461 4.6 17.0 0.4
CA A:SER461 4.6 17.2 0.6
CB A:SER461 4.6 19.2 0.6
O A:PRO459 4.7 12.9 1.0
N A:PRO459 4.7 17.1 1.0
N A:SER461 4.8 13.2 1.0
CB A:PRO459 4.9 19.8 1.0
NH2 B:ARG146 5.0 32.1 1.0
C A:PRO459 5.0 13.5 1.0

Bromine binding site 3 out of 15 in 2j6l

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Bromine binding site 3 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1502

b:34.8
occ:0.50
 BR B:BR1506 2.9 38.2 0.5
OG B:SER57 2.9 14.9 1.0
O B:HOH2070 3.0 33.0 1.0
CB B:SER57 3.4 14.7 1.0
CB B:ALA59 3.6 14.6 1.0
CB B:ARG35 3.8 15.3 1.0
NE B:ARG35 3.9 27.9 1.0
CD B:ARG35 4.0 21.2 1.0
CZ B:ARG35 4.0 28.6 1.0
NH2 B:ARG35 4.1 31.7 1.0
CG B:ARG35 4.5 19.3 1.0
N B:ALA59 4.6 13.0 1.0
NH1 B:ARG35 4.6 28.1 1.0
CA B:ALA59 4.7 13.2 1.0
O B:ARG35 4.8 15.6 1.0
CA B:SER57 4.9 13.1 1.0

Bromine binding site 4 out of 15 in 2j6l

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Bromine binding site 4 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1503

b:22.5
occ:0.50
 CE B:MET353 1.9 22.7 0.5
O E:HOH2236 3.1 28.8 1.0
OG E:SER352 3.3 14.4 1.0
O B:HOH2451 3.4 19.1 1.0
SD B:MET353 3.6 32.1 0.5
CA E:GLN349 3.7 14.3 1.0
CA B:MET353 3.8 12.1 1.0
N E:GLN349 3.9 11.7 1.0
CG E:LYS348 4.0 21.0 1.0
CA B:GLY356 4.0 14.2 1.0
O E:LYS348 4.1 13.7 1.0
CB E:SER352 4.1 13.2 1.0
C E:LYS348 4.1 11.5 1.0
CG B:MET353 4.2 12.8 0.5
O B:SER352 4.2 14.5 1.0
CB E:GLN349 4.3 14.9 1.0
O B:MET353 4.3 13.4 1.0
CG B:MET353 4.3 21.0 0.5
CB B:MET353 4.4 12.8 0.5
CB B:MET353 4.4 14.3 0.5
N B:MET353 4.5 12.2 1.0
C B:MET353 4.6 13.1 1.0
CB E:LYS348 4.6 14.9 1.0
N B:GLY356 4.7 13.6 1.0
C B:SER352 4.7 12.4 1.0
CG E:GLN349 4.8 22.3 1.0
C B:GLY356 4.8 15.6 1.0
C E:GLN349 4.9 14.2 1.0
O E:HOH2461 4.9 19.9 1.0

Bromine binding site 5 out of 15 in 2j6l

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Bromine binding site 5 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1504

b:29.1
occ:0.50
 O A:HOH2281 3.1 36.5 1.0
N B:GLY462 3.6 21.1 1.0
CE2 B:PHE293 3.7 24.4 1.0
CA B:GLY462 3.7 20.4 1.0
C B:SER461 3.8 20.0 1.0
CG B:PRO459 3.9 21.4 1.0
CD B:PRO459 3.9 18.0 1.0
OG B:SER461 4.1 29.4 1.0
O B:SER461 4.1 21.9 1.0
CG1 B:ILE458 4.1 19.0 1.0
CD2 B:PHE293 4.1 22.3 1.0
CD1 B:ILE458 4.3 20.8 1.0
CA B:SER461 4.6 17.4 1.0
CB B:SER461 4.6 22.5 1.0
CZ B:PHE293 4.7 26.5 1.0
N B:PRO459 4.7 16.3 1.0
O B:PRO459 4.7 12.4 1.0
CB B:PRO459 4.8 20.4 1.0
N B:SER461 4.8 13.3 1.0
NH2 A:ARG146 4.9 31.2 1.0
NH1 A:ARG146 4.9 19.6 1.0

Bromine binding site 6 out of 15 in 2j6l

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Bromine binding site 6 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1506

b:38.2
occ:0.50
 BR B:BR1502 2.9 34.8 0.5
O B:HOH2125 2.9 32.8 1.0
N B:ALA59 3.0 13.0 1.0
CB B:ALA59 3.3 14.6 1.0
O B:HOH2123 3.4 26.9 1.0
OG B:SER57 3.5 14.9 1.0
CB B:SER57 3.6 14.7 1.0
N B:VAL58 3.7 13.6 1.0
CA B:ALA59 3.8 13.2 1.0
C B:VAL58 4.0 13.7 1.0
CB B:VAL58 4.0 15.9 1.0
CA B:VAL58 4.1 15.3 1.0
C B:SER57 4.3 13.1 1.0
CA B:SER57 4.5 13.1 1.0
O B:HOH2070 4.7 33.0 1.0
O B:HOH2013 4.8 30.4 1.0
C B:ALA59 4.9 12.0 1.0
CG2 B:VAL58 5.0 17.1 1.0
CG1 B:VAL58 5.0 15.6 1.0

Bromine binding site 7 out of 15 in 2j6l

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Bromine binding site 7 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br1502

b:29.7
occ:0.50
 OG C:SER461 3.1 18.2 0.5
N C:GLY462 3.6 21.7 1.0
CG C:PRO459 3.7 22.2 1.0
CA C:GLY462 3.7 21.9 1.0
C C:SER461 3.8 21.1 1.0
CD C:PRO459 3.8 14.6 1.0
CE2 C:PHE293 3.9 23.5 1.0
CG1 C:ILE458 3.9 15.8 1.0
CB C:SER461 4.1 20.6 0.5
O C:SER461 4.1 21.1 1.0
CD2 C:PHE293 4.2 23.7 1.0
CD1 C:ILE458 4.3 17.6 1.0
CB C:SER461 4.4 20.3 0.5
O C:HOH2526 4.5 48.1 1.0
CA C:SER461 4.5 18.3 1.0
O C:PRO459 4.7 13.6 1.0
N C:PRO459 4.7 15.8 1.0
NH2 D:ARG146 4.8 25.0 1.0
NH1 D:ARG146 4.8 21.2 1.0
N C:SER461 4.9 13.8 1.0
CB C:PRO459 4.9 18.5 1.0

Bromine binding site 8 out of 15 in 2j6l

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Bromine binding site 8 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br1504

b:17.6
occ:0.50
 O C:HOH2153 3.3 18.3 1.0
O C:HOH2066 3.3 12.8 1.0
CE C:LYS67 4.3 20.4 1.0
CA C:GLY30 4.3 11.0 1.0
O C:HOH2059 4.5 25.0 1.0
NZ C:LYS67 4.6 24.0 1.0
O C:HOH2152 4.7 13.8 1.0
O C:ASN29 4.7 9.8 1.0
C C:GLY30 4.9 9.6 1.0

Bromine binding site 9 out of 15 in 2j6l

Go back to Bromine Binding Sites List in 2j6l
Bromine binding site 9 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br1502

b:31.6
occ:0.50
 N D:GLY462 3.6 19.9 1.0
CG D:PRO459 3.6 22.3 1.0
CA D:GLY462 3.7 20.5 1.0
C D:SER461 3.8 22.1 1.0
CE2 D:PHE293 3.8 24.7 1.0
CD D:PRO459 3.9 19.1 1.0
O D:SER461 4.0 26.1 1.0
CG1 D:ILE458 4.1 8.6 0.5
CB D:SER461 4.2 24.8 1.0
CD2 D:PHE293 4.2 24.8 1.0
CD1 D:ILE458 4.4 11.2 0.5
CA D:SER461 4.4 21.1 1.0
O D:PRO459 4.6 14.7 1.0
N D:PRO459 4.6 17.1 1.0
N D:SER461 4.7 16.5 1.0
CB D:PRO459 4.8 20.1 1.0
CZ D:PHE293 4.9 26.5 1.0
C D:PRO459 4.9 13.4 1.0

Bromine binding site 10 out of 15 in 2j6l

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Bromine binding site 10 out of 15 in the Structure of Aminoadipate-Semialdehyde Dehydrogenase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of Aminoadipate-Semialdehyde Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br1502

b:27.0
occ:0.60
 O E:HOH2204 3.3 38.6 1.0
N E:GLY462 3.6 21.1 1.0
CG E:PRO459 3.7 21.8 1.0
CA E:GLY462 3.7 20.6 1.0
C E:SER461 3.8 17.9 1.0
OG E:SER461 3.8 18.8 0.5
CD E:PRO459 3.8 16.4 1.0
CE2 E:PHE293 3.9 19.7 1.0
CG1 E:ILE458 4.0 18.3 1.0
O E:SER461 4.0 21.4 1.0
CD2 E:PHE293 4.2 17.7 1.0
CD1 E:ILE458 4.3 21.7 1.0
CB E:SER461 4.5 18.0 0.5
CB E:SER461 4.5 18.7 0.5
CA E:SER461 4.5 16.8 1.0
O E:HOH2586 4.6 41.2 1.0
O E:PRO459 4.6 13.7 1.0
N E:SER461 4.7 11.4 1.0
N E:PRO459 4.7 16.1 1.0
NH1 F:ARG146 4.7 30.4 1.0
NH2 F:ARG146 5.0 24.6 1.0
CB E:PRO459 5.0 16.9 1.0

Reference:

C.Brocker, N.Lassen, T.Estey, A.Pappa, M.Cantore, V.V.Orlova, T.Chavakis, K.L.Kavanagh, U.Oppermann, V.Vasiliou. Aldehyde Dehydrogenase 7A1 (ALDH7A1) Is A Novel Enzyme Involved in Cellular Defense Against Hyperosmotic Stress. J.Biol.Chem. V. 285 18452 2010.
ISSN: ISSN 0021-9258
PubMed: 20207735
DOI: 10.1074/JBC.M109.077925
Page generated: Wed Jul 10 18:12:14 2024

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