Potassium in PDB 7jns: New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol

Enzymatic activity of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol

All present enzymatic activity of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol:
1.1.1.2;

Protein crystallography data

The structure of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol, PDB code: 7jns was solved by T.Dinh, R.Phillips, K.Rahn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.53 / 2.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.820, 122.850, 165.150, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 23

Other elements in 7jns:

The structure of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Potassium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Potassium atom in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol (pdb code 7jns). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 11 binding sites of Potassium where determined in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol, PDB code: 7jns:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 11 in 7jns

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Potassium binding site 1 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K403

b:58.5
occ:1.00
 OG1 A:THR289 2.8 40.5 1.0
O A:GLY259 2.8 43.6 1.0
O A:HIS287 3.0 41.9 1.0
O A:GLY260 3.1 44.8 1.0
OH B:TYR99 3.1 49.5 1.0
O B:HOH531 3.3 32.3 1.0
C A:GLY259 3.4 40.4 1.0
CB A:THR289 3.8 29.7 1.0
CZ B:TYR99 3.9 36.6 1.0
N A:THR289 3.9 45.8 1.0
CA A:GLY259 3.9 36.2 1.0
O A:HOH511 4.0 35.8 1.0
C A:HIS287 4.0 39.0 1.0
C A:GLY260 4.0 34.0 1.0
OG1 A:THR261 4.2 44.1 1.0
CE2 B:TYR99 4.2 47.4 1.0
N A:GLY260 4.3 38.0 1.0
CA A:THR289 4.5 34.0 1.0
CA A:GLY260 4.6 38.0 1.0
CB A:HIS287 4.6 39.1 1.0
CA A:HIS287 4.8 36.1 1.0
CE1 B:TYR99 4.8 36.6 1.0
N A:LYS288 4.9 37.1 1.0
C A:LYS288 4.9 41.4 1.0
CA A:LYS288 4.9 39.4 1.0
N A:GLY259 5.0 34.9 1.0
CG2 A:THR289 5.0 27.2 1.0
N A:THR261 5.0 34.6 1.0

Potassium binding site 2 out of 11 in 7jns

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Potassium binding site 2 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K404

b:87.1
occ:1.00
 OG1 A:THR169 2.7 46.4 1.0
O A:GLY167 2.7 38.5 1.0
OD2 D:ASP307 2.9 58.1 1.0
N A:ARG193 3.4 38.4 1.0
N A:THR169 3.5 37.3 1.0
C A:ALA168 3.6 38.8 1.0
CA A:THR169 3.7 36.1 1.0
O A:ALA168 3.7 41.3 1.0
CB A:ARG193 3.7 39.0 1.0
CB A:THR169 3.8 36.0 1.0
CG D:ASP307 3.8 51.9 1.0
C A:GLY167 3.9 37.6 1.0
CB D:ASP307 3.9 35.3 1.0
CA A:GLY192 4.2 36.2 1.0
CA A:ARG193 4.2 39.1 1.0
CA A:ALA168 4.3 45.4 1.0
C A:GLY192 4.3 39.0 1.0
N A:ALA168 4.5 35.6 1.0
N A:GLY192 4.6 39.7 1.0
CG2 A:THR169 4.8 42.1 1.0
O A:ARG193 4.8 47.2 1.0
OD1 D:ASP307 4.9 57.2 1.0
CE2 D:TYR311 4.9 42.8 1.0
CA A:GLY167 4.9 33.0 1.0

Potassium binding site 3 out of 11 in 7jns

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Potassium binding site 3 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K404

b:56.2
occ:1.00
 OG1 B:THR289 2.8 40.5 1.0
O B:GLY259 2.9 54.8 1.0
O B:HIS287 3.0 48.0 1.0
OH A:TYR99 3.1 71.1 1.0
O B:GLY260 3.2 39.7 1.0
O B:HOH528 3.2 38.0 1.0
C B:GLY259 3.5 39.7 1.0
CB B:THR289 3.8 31.3 1.0
CZ A:TYR99 3.8 50.4 1.0
CA B:GLY259 3.9 42.3 1.0
N B:THR289 4.0 39.0 1.0
C B:HIS287 4.1 38.5 1.0
CE1 A:TYR99 4.1 62.6 1.0
C B:GLY260 4.1 36.1 1.0
OG1 B:THR261 4.2 34.3 1.0
N B:GLY260 4.4 34.2 1.0
CA B:THR289 4.5 27.2 1.0
CB B:HIS287 4.7 42.3 1.0
CA B:GLY260 4.7 28.9 1.0
CE2 A:TYR99 4.8 59.2 1.0
CA B:HIS287 4.8 35.6 1.0
C B:LYS288 4.9 37.7 1.0
N B:LYS288 4.9 37.6 1.0
CA B:LYS288 4.9 34.3 1.0
N B:GLY259 4.9 48.0 1.0

Potassium binding site 4 out of 11 in 7jns

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Potassium binding site 4 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K405

b:78.1
occ:1.00
 OG1 B:THR87 2.7 34.4 1.0
O B:ALA85 2.7 34.2 1.0
N B:LYS111 2.8 37.2 1.0
N B:PHE112 3.0 36.3 1.0
N B:THR87 3.3 40.8 1.0
CB B:LYS111 3.4 42.1 1.0
CA B:LYS111 3.4 43.2 1.0
CD2 B:PHE112 3.6 31.0 1.0
C B:LYS111 3.6 37.7 1.0
CB B:THR87 3.7 37.4 1.0
CG B:PHE112 3.7 33.0 1.0
C B:ALA85 3.8 32.6 1.0
CG2 B:THR87 3.9 33.7 1.0
CB B:PHE112 3.9 38.6 1.0
C B:TRP110 3.9 48.4 1.0
CA B:ALA86 4.0 39.1 1.0
O B:GLY109 4.0 44.3 1.0
CA B:PHE112 4.0 34.6 1.0
C B:ALA86 4.1 40.5 1.0
CA B:THR87 4.1 33.7 1.0
CG B:LYS111 4.2 38.7 1.0
CA B:TRP110 4.2 42.9 1.0
CE2 B:PHE112 4.2 33.3 1.0
N B:ALA86 4.3 38.9 1.0
CD1 B:PHE112 4.4 26.8 1.0
CD1 B:TRP110 4.5 55.6 1.0
O B:THR87 4.6 39.9 1.0
C B:THR87 4.7 37.1 1.0
O B:HOH501 4.7 35.7 1.0
O B:PRO84 4.8 36.2 1.0
O B:LYS111 4.9 49.5 1.0
CZ B:PHE112 4.9 34.5 1.0
CD B:LYS111 4.9 40.8 1.0
H053 B:VF4403 4.9 79.9 0.9
C B:GLY109 4.9 45.8 1.0
CA B:ALA85 4.9 30.7 1.0
CE1 B:PHE112 5.0 39.4 1.0

Potassium binding site 5 out of 11 in 7jns

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Potassium binding site 5 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K406

b:76.1
occ:1.00
 OE1 B:GLU60 2.6 50.4 1.0
O B:VAL146 3.0 38.7 1.0
N B:MET151 3.0 35.1 1.0
N B:ASP150 3.1 30.3 1.0
O B:MET147 3.3 41.1 1.0
CB B:ASP150 3.3 39.1 1.0
CD B:GLU60 3.4 51.2 1.0
C B:MET147 3.5 41.2 1.0
CA B:ASP150 3.5 38.5 1.0
CG B:MET151 3.6 38.9 1.0
CA B:MET147 3.7 45.3 1.0
C B:ASP150 3.8 39.6 1.0
CB B:GLU60 3.9 34.2 1.0
CB B:MET151 3.9 32.3 1.0
CD B:PRO149 3.9 42.0 1.0
CG B:GLU60 4.0 39.1 1.0
N B:PRO149 4.0 41.2 1.0
C B:VAL146 4.0 41.3 1.0
CA B:MET151 4.1 30.7 1.0
C B:PRO149 4.1 39.9 1.0
OE2 B:GLU60 4.2 51.4 1.0
N B:ILE148 4.2 31.9 1.0
N B:MET147 4.3 41.0 1.0
C B:ILE148 4.4 37.0 1.0
CB B:PRO149 4.4 33.3 1.0
CA B:PRO149 4.4 37.8 1.0
CE B:MET147 4.6 46.5 1.0
CE B:MET151 4.6 52.4 1.0
NZ B:LYS346 4.6 56.6 1.0
CG B:PRO149 4.6 38.6 1.0
CG B:ASP150 4.6 50.8 1.0
CA B:ILE148 4.9 31.7 1.0
N B:MET152 4.9 36.0 1.0
SD B:MET151 4.9 46.1 1.0
O B:ILE148 4.9 47.0 1.0
CB B:MET147 4.9 42.8 1.0
O B:ASP150 5.0 30.6 1.0

Potassium binding site 6 out of 11 in 7jns

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Potassium binding site 6 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K407

b:98.4
occ:1.00
 O B:GLY50 2.6 72.6 1.0
O B:THR43 2.8 65.2 1.0
CA B:GLY47 3.0 74.0 1.0
C B:GLY47 3.1 73.1 1.0
N B:GLY50 3.2 72.0 1.0
N B:ALA48 3.2 81.7 1.0
N B:ILE49 3.3 74.1 1.0
C B:GLY50 3.5 73.3 1.0
C B:THR43 3.6 56.9 1.0
CG1 B:ILE49 3.6 63.2 1.0
CA B:THR43 3.7 56.9 1.0
C B:ILE49 3.8 72.8 1.0
N B:GLY47 3.8 71.5 1.0
CG2 B:THR43 3.8 58.7 1.0
O B:GLY47 3.8 82.6 1.0
CA B:GLY50 3.9 68.3 1.0
CD1 B:ILE9 3.9 77.9 1.0
CA B:ILE49 3.9 69.0 1.0
C B:ALA48 4.1 73.3 1.0
CA B:ALA48 4.2 69.7 1.0
CE B:MET6 4.3 63.8 1.0
CB B:THR43 4.3 57.7 1.0
CB B:ILE49 4.4 67.1 1.0
O B:HIS42 4.5 72.8 1.0
O B:ILE49 4.7 76.5 1.0
N B:GLU51 4.7 72.3 1.0
OG1 B:THR43 4.8 53.5 1.0
CD1 B:ILE49 4.8 65.4 1.0
CB B:ALA48 4.8 64.4 1.0
N B:VAL44 4.9 58.0 1.0
N B:THR43 4.9 55.2 1.0
C B:GLU46 5.0 67.0 1.0

Potassium binding site 7 out of 11 in 7jns

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Potassium binding site 7 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K408

b:76.0
occ:1.00
 N B:ALA61 2.7 37.0 1.0
O B:HIS59 2.7 52.2 1.0
O B:VAL83 2.9 38.6 1.0
CA B:GLU60 3.2 33.3 1.0
C B:HIS59 3.2 38.9 1.0
C B:GLU60 3.3 32.8 1.0
N B:GLU60 3.5 43.9 1.0
O B:ALA61 3.6 45.0 1.0
CA B:ALA61 3.7 39.9 1.0
CB B:VAL83 3.7 33.8 1.0
CB B:PRO149 3.8 33.3 1.0
C B:VAL83 3.8 35.6 1.0
CB B:ALA61 3.9 38.7 1.0
CG1 B:VAL83 4.0 34.0 1.0
C B:ALA61 4.1 39.4 1.0
CG B:PRO149 4.2 38.6 1.0
O B:PRO84 4.2 36.2 1.0
C B:PRO84 4.2 32.0 1.0
N B:ALA85 4.2 45.1 1.0
CG1 B:VAL119 4.3 35.6 1.0
CA B:VAL83 4.3 34.4 1.0
CA B:ALA85 4.4 30.7 1.0
CA B:HIS59 4.4 41.6 1.0
O B:GLU60 4.5 46.8 1.0
CE2 B:PHE112 4.5 33.3 1.0
CB B:GLU60 4.6 34.2 1.0
CD2 B:PHE112 4.6 31.0 1.0
N B:PRO84 4.7 36.2 1.0
N B:VAL83 4.8 31.2 1.0
CA B:PRO84 4.9 35.7 1.0
CG2 B:VAL83 4.9 30.8 1.0

Potassium binding site 8 out of 11 in 7jns

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Potassium binding site 8 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K403

b:50.4
occ:1.00
 OG1 C:THR289 2.8 40.2 1.0
O C:HIS287 2.9 44.3 1.0
O C:GLY259 3.0 39.2 1.0
O C:GLY260 3.1 33.9 1.0
O C:HOH536 3.1 28.0 1.0
OH D:TYR99 3.3 49.6 1.0
C C:GLY259 3.5 25.4 1.0
CB C:THR289 3.8 30.2 1.0
N C:THR289 3.9 30.2 1.0
C C:HIS287 3.9 38.2 1.0
O D:HOH515 4.0 58.6 1.0
CZ D:TYR99 4.0 34.7 1.0
CA C:GLY259 4.0 36.5 1.0
O C:HOH517 4.0 35.5 1.0
C C:GLY260 4.0 31.1 1.0
OG1 C:THR261 4.2 36.9 1.0
CE1 D:TYR99 4.3 36.9 1.0
N C:GLY260 4.3 32.0 1.0
CA C:THR289 4.4 31.4 1.0
CB C:HIS287 4.5 35.0 1.0
CA C:GLY260 4.6 28.8 1.0
CA C:HIS287 4.7 32.5 1.0
N C:LYS288 4.8 31.6 1.0
C C:LYS288 4.8 35.5 1.0
CA C:LYS288 4.8 33.0 1.0
CE2 D:TYR99 5.0 32.5 1.0

Potassium binding site 9 out of 11 in 7jns

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Potassium binding site 9 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K404

b:80.7
occ:1.00
 OG1 C:THR169 2.7 33.2 1.0
O C:GLY167 2.8 36.7 1.0
OD2 B:ASP307 2.9 49.2 1.0
N C:ARG193 3.1 24.8 1.0
N C:THR169 3.5 35.3 1.0
C C:ALA168 3.5 35.0 1.0
CB C:ARG193 3.5 33.4 1.0
O C:ALA168 3.6 40.9 1.0
CA C:THR169 3.6 27.8 1.0
CB C:THR169 3.7 31.3 1.0
CG B:ASP307 3.8 53.4 1.0
CB B:ASP307 3.8 35.8 1.0
C C:GLY167 3.9 35.2 1.0
CA C:ARG193 3.9 26.8 1.0
CA C:GLY192 4.0 25.3 1.0
C C:GLY192 4.1 33.8 1.0
O B:HOH510 4.2 51.5 1.0
CA C:ALA168 4.3 23.7 1.0
N C:GLY192 4.4 30.9 1.0
O C:ARG193 4.5 34.1 1.0
N C:ALA168 4.5 28.2 1.0
CE2 B:TYR311 4.6 43.3 1.0
CG2 C:THR169 4.7 26.9 1.0
C C:ARG193 4.8 30.7 1.0
CG C:ARG193 4.9 36.0 1.0
OD1 B:ASP307 4.9 64.0 1.0
CA C:GLY167 4.9 31.0 1.0
CD2 B:TYR311 5.0 46.8 1.0

Potassium binding site 10 out of 11 in 7jns

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Potassium binding site 10 out of 11 in the New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3- Methylcylohexanol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K404

b:55.2
occ:1.00
 O D:GLY259 2.9 42.3 1.0
OG1 D:THR289 2.9 41.8 1.0
OH C:TYR99 3.0 48.9 1.0
O D:GLY260 3.0 39.8 1.0
O D:HIS287 3.0 42.8 1.0
O D:HOH536 3.3 27.6 1.0
C D:GLY259 3.4 39.8 1.0
CZ C:TYR99 3.8 41.2 1.0
CB D:THR289 3.9 27.5 1.0
C D:GLY260 3.9 33.8 1.0
OG1 D:THR261 4.0 45.2 1.0
CA D:GLY259 4.0 38.6 1.0
N D:THR289 4.1 34.5 1.0
C D:HIS287 4.1 39.7 1.0
N D:GLY260 4.2 34.7 1.0
CE1 C:TYR99 4.3 47.3 1.0
O D:HOH525 4.4 27.4 1.0
CA D:GLY260 4.5 27.9 1.0
CA D:THR289 4.6 31.4 1.0
CE2 C:TYR99 4.6 53.9 1.0
CB D:HIS287 4.7 42.0 1.0
N D:THR261 4.9 34.2 1.0
CA D:HIS287 4.9 38.0 1.0

Reference:

T.Dinh, K.T.Rahn, R.Phillips. New Condition to Crystallize Thermoanaerobacter Ethanolicus Secondary Alcohol Dehydrogenases I86A Mutant with 2-Pentanol and 3-Methylcylohexanol at 1.9A Resolution To Be Published.
Page generated: Mon Dec 14 02:47:10 2020

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