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Chlorine in PDB 3ftn: Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh

Enzymatic activity of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh

All present enzymatic activity of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh:
1.1.1.2;

Protein crystallography data

The structure of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh, PDB code: 3ftn was solved by F.Frolow, E.Goihberg, L.Shimon, Y.Burstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.18 / 2.19
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.376, 83.003, 119.691, 90.00, 99.93, 90.00
R / Rfree (%) 16.5 / 22.8

Other elements in 3ftn:

The structure of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh (pdb code 3ftn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh, PDB code: 3ftn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3ftn

Go back to Chlorine Binding Sites List in 3ftn
Chlorine binding site 1 out of 6 in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl357

b:87.4
occ:1.00
 CD2 A:PHE25 3.9 36.5 1.0
CG A:PHE25 4.1 43.3 1.0
NE A:ARG91 4.2 53.1 1.0
O A:HOH520 4.2 49.3 1.0
CD D:ARG91 4.3 41.5 1.0
CE2 A:PHE25 4.3 43.6 1.0
CB A:PHE25 4.5 42.4 1.0
CD1 A:PHE25 4.5 40.3 1.0
O A:HOH408 4.6 26.2 0.7
OD2 A:ASP128 4.6 35.5 1.0
CZ D:PHE25 4.7 41.9 1.0
CZ A:PHE25 4.7 45.0 1.0
CE1 A:PHE25 4.8 42.0 1.0
NH2 A:ARG91 4.9 54.5 1.0
NE D:ARG91 4.9 51.3 1.0
CD A:ARG91 5.0 48.9 1.0
O A:HOH400 5.0 36.0 1.0
CE1 D:PHE25 5.0 38.8 1.0

Chlorine binding site 2 out of 6 in 3ftn

Go back to Chlorine Binding Sites List in 3ftn
Chlorine binding site 2 out of 6 in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl356

b:80.8
occ:1.00
 O B:HOH628 3.7 72.2 1.0
O B:HOH402 3.8 43.0 1.0
O B:HOH470 4.0 39.9 1.0
O B:HOH408 4.1 66.8 1.0
CB B:PHE209 4.3 37.3 1.0
CG B:PHE209 4.4 42.0 1.0
CD1 B:PHE209 4.5 42.0 1.0
CG B:LYS318 4.6 48.5 1.0
O B:GLU205 4.6 34.4 1.0
CD B:LYS318 4.7 45.2 1.0
CB B:LYS318 4.7 42.6 1.0
CA B:ALA206 4.7 28.2 1.0
C B:GLU205 4.8 32.9 1.0
N B:ALA206 4.8 27.4 1.0
CB B:GLU205 4.9 39.1 1.0

Chlorine binding site 3 out of 6 in 3ftn

Go back to Chlorine Binding Sites List in 3ftn
Chlorine binding site 3 out of 6 in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl359

b:79.0
occ:1.00
 OD1 B:ASP307 3.4 34.7 1.0
O B:HOH730 3.4 59.6 1.0
CG B:PHE310 4.0 31.0 1.0
CD2 B:PHE310 4.1 28.8 1.0
O B:HOH429 4.2 41.2 0.9
CD1 B:PHE310 4.3 33.5 1.0
CE2 B:PHE310 4.4 38.5 1.0
CB B:PHE310 4.4 30.2 1.0
CG B:ASP307 4.4 34.1 1.0
CG B:PRO137 4.5 28.1 1.0
CE1 B:PHE310 4.6 39.8 1.0
CZ B:PHE310 4.6 40.8 1.0
OH B:TYR311 4.8 37.6 1.0
CE2 B:TYR311 4.8 27.9 1.0
CG2 B:ILE306 4.9 30.8 1.0
OD2 B:ASP307 5.0 37.0 1.0

Chlorine binding site 4 out of 6 in 3ftn

Go back to Chlorine Binding Sites List in 3ftn
Chlorine binding site 4 out of 6 in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl360

b:70.5
occ:1.00
 O B:HOH495 3.1 41.6 1.0
N B:SER70 3.4 36.4 1.0
CA B:GLY69 3.6 39.5 1.0
CA B:PRO24 3.8 42.1 1.0
OG B:SER70 3.9 49.0 1.0
N B:PRO24 3.9 42.2 1.0
C B:GLY69 4.0 37.7 1.0
C B:GLY23 4.0 43.5 1.0
O B:GLY23 4.1 46.0 1.0
CB B:SER70 4.2 43.6 1.0
O B:PRO22 4.2 52.8 1.0
O B:HOH466 4.4 56.0 1.0
CA B:SER70 4.4 42.0 1.0
CD B:PRO24 4.5 43.0 1.0
CG B:PRO24 4.6 45.5 1.0
O B:HOH391 4.6 31.2 0.8
CB B:PRO24 4.6 46.1 1.0
O B:HOH396 4.7 77.8 1.0
CA B:GLY23 4.8 42.3 1.0
C B:PRO24 4.9 40.0 1.0
N B:GLY69 4.9 41.1 1.0

Chlorine binding site 5 out of 6 in 3ftn

Go back to Chlorine Binding Sites List in 3ftn
Chlorine binding site 5 out of 6 in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl357

b:77.5
occ:1.00
 NE C:ARG325 3.8 53.0 1.0
C C:ALA352 4.0 71.7 1.0
NH2 C:ARG325 4.0 60.7 1.0
C C:LEU351 4.0 55.8 1.0
N C:ALA352 4.1 59.3 1.0
O C:LEU351 4.1 57.5 1.0
O C:ALA352 4.1 72.0 1.0
CA C:ALA352 4.2 66.1 1.0
OXT C:ALA352 4.2 72.8 1.0
O C:ILE350 4.4 42.9 1.0
CZ C:ARG325 4.4 52.8 1.0
CB C:ARG325 4.5 39.9 1.0
CA C:LEU351 4.6 49.5 1.0
N C:GLY326 4.7 40.2 1.0
CD C:ARG325 4.9 39.5 1.0
C C:ILE350 5.0 43.6 1.0

Chlorine binding site 6 out of 6 in 3ftn

Go back to Chlorine Binding Sites List in 3ftn
Chlorine binding site 6 out of 6 in the Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Q165E/S254K Double Mutant Chimera of Alcohol Dehydrogenase By Exchange of the Cofactor Binding Domain Res 153-295 of T. Brockii Adh By C. Beijerinckii Adh within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl353

b:82.5
occ:1.00
 O D:HOH509 3.8 64.2 1.0
CD2 D:PHE25 4.0 41.7 1.0
CD A:ARG91 4.1 48.9 1.0
CG D:PHE25 4.2 36.4 1.0
NE D:ARG91 4.3 51.3 1.0
CE2 D:PHE25 4.3 39.3 1.0
NE A:ARG91 4.4 53.1 1.0
CD D:ARG91 4.4 41.5 1.0
O D:HOH428 4.5 39.9 1.0
OD2 D:ASP128 4.6 36.6 1.0
CD1 D:PHE25 4.7 33.4 1.0
CZ A:PHE25 4.7 45.0 1.0
CZ D:PHE25 4.7 41.9 1.0
CB D:PHE25 4.7 36.5 1.0
O D:HOH424 4.8 53.7 1.0
CG D:ARG91 4.8 42.0 1.0
CE1 A:PHE25 4.8 42.0 1.0
CE1 D:PHE25 4.9 38.8 1.0
O D:HOH390 4.9 51.6 1.0
CZ A:ARG91 5.0 43.5 1.0

Reference:

E.Goihberg, M.Peretz, S.Tel-Or, O.Dym, L.Shimon, F.Frolow, Y.Burstein. Biochemical and Structural Properties of Chimeras Constructed By Exchange of Cofactor-Binding Domains in Alcohol Dehydrogenases From Thermophilic and Mesophilic Microorganisms. Biochemistry V. 49 1943 2010.
ISSN: ISSN 0006-2960
PubMed: 20102159
DOI: 10.1021/BI901730X
Page generated: Sat Jul 20 19:36:18 2024

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