Zinc 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 Binding Sites:
The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc 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 Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 7jns
Go back to
Zinc Binding Sites List in 7jns
Zinc binding site 1 out
of 4 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 Zinc with other atoms in the Zn 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:Zn401
b:79.0
occ:0.60
|
OD2
|
A:ASP150
|
1.9
|
79.1
|
1.0
|
NE2
|
A:HIS59
|
2.1
|
68.5
|
1.0
|
SG
|
A:CYS37
|
2.4
|
99.1
|
1.0
|
CB
|
A:CYS37
|
2.4
|
82.7
|
1.0
|
OE1
|
A:GLU60
|
2.5
|
81.2
|
1.0
|
CD2
|
A:HIS59
|
3.0
|
71.3
|
1.0
|
CE1
|
A:HIS59
|
3.1
|
81.0
|
1.0
|
CG
|
A:ASP150
|
3.1
|
69.4
|
1.0
|
CD
|
A:GLU60
|
3.5
|
78.3
|
1.0
|
O
|
A:HOH514
|
3.6
|
30.0
|
0.9
|
CE
|
A:MET151
|
3.7
|
57.0
|
1.0
|
CB
|
A:ASP150
|
3.9
|
57.1
|
1.0
|
CG
|
A:GLU60
|
3.9
|
68.5
|
1.0
|
CA
|
A:CYS37
|
3.9
|
78.6
|
1.0
|
OD1
|
A:ASP150
|
4.1
|
68.7
|
1.0
|
CG
|
A:HIS59
|
4.2
|
71.5
|
1.0
|
ND1
|
A:HIS59
|
4.2
|
82.9
|
1.0
|
OG
|
A:SER39
|
4.2
|
0.7
|
1.0
|
CB
|
A:SER39
|
4.3
|
97.8
|
1.0
|
C5N
|
A:NAP402
|
4.4
|
72.2
|
0.8
|
NZ
|
A:LYS346
|
4.5
|
56.9
|
1.0
|
OE2
|
A:GLU60
|
4.6
|
78.6
|
1.0
|
N
|
A:CYS37
|
4.6
|
78.0
|
1.0
|
C
|
A:CYS37
|
4.8
|
82.9
|
1.0
|
N
|
A:SER39
|
4.9
|
92.4
|
1.0
|
|
Zinc binding site 2 out
of 4 in 7jns
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Zinc Binding Sites List in 7jns
Zinc binding site 2 out
of 4 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 Zinc with other atoms in the Zn 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
|
B:Zn401
b:50.1
occ:0.54
|
OD2
|
B:ASP150
|
1.8
|
54.6
|
1.0
|
NE2
|
B:HIS59
|
2.1
|
48.5
|
1.0
|
OE2
|
B:GLU60
|
2.3
|
51.4
|
1.0
|
SG
|
B:CYS37
|
2.4
|
70.2
|
1.0
|
CB
|
B:CYS37
|
2.7
|
51.9
|
1.0
|
CG
|
B:ASP150
|
3.0
|
50.8
|
1.0
|
CE1
|
B:HIS59
|
3.0
|
56.0
|
1.0
|
CD2
|
B:HIS59
|
3.1
|
43.2
|
1.0
|
O01
|
B:VF4403
|
3.1
|
79.2
|
0.9
|
H011
|
B:VF4403
|
3.2
|
95.8
|
0.9
|
CD
|
B:GLU60
|
3.4
|
51.2
|
1.0
|
CE
|
B:MET151
|
3.8
|
52.4
|
1.0
|
OD1
|
B:ASP150
|
3.9
|
51.0
|
1.0
|
CB
|
B:ASP150
|
3.9
|
39.1
|
1.0
|
CG
|
B:GLU60
|
4.0
|
39.1
|
1.0
|
H062
|
B:VF4403
|
4.0
|
73.4
|
0.9
|
OG
|
B:SER39
|
4.0
|
75.5
|
1.0
|
C5N
|
B:NAP402
|
4.1
|
50.7
|
0.7
|
ND1
|
B:HIS59
|
4.2
|
41.0
|
1.0
|
CG
|
B:HIS59
|
4.2
|
38.9
|
1.0
|
CA
|
B:CYS37
|
4.2
|
56.8
|
1.0
|
CB
|
B:SER39
|
4.4
|
52.6
|
1.0
|
OE1
|
B:GLU60
|
4.5
|
50.4
|
1.0
|
C02
|
B:VF4403
|
4.5
|
76.0
|
0.9
|
H021
|
B:VF4403
|
4.7
|
92.0
|
0.9
|
C6N
|
B:NAP402
|
4.7
|
53.4
|
0.7
|
H031
|
B:VF4403
|
4.8
|
74.7
|
0.9
|
C06
|
B:VF4403
|
4.9
|
60.5
|
0.9
|
N
|
B:CYS37
|
5.0
|
51.0
|
1.0
|
C4N
|
B:NAP402
|
5.0
|
52.3
|
0.7
|
|
Zinc binding site 3 out
of 4 in 7jns
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Zinc Binding Sites List in 7jns
Zinc binding site 3 out
of 4 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 Zinc with other atoms in the Zn 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
|
C:Zn401
b:51.4
occ:0.55
|
OD2
|
C:ASP150
|
1.9
|
52.9
|
1.0
|
NE2
|
C:HIS59
|
1.9
|
68.2
|
1.0
|
SG
|
C:CYS37
|
2.2
|
66.1
|
1.0
|
CE1
|
C:HIS59
|
2.8
|
63.4
|
1.0
|
CB
|
C:CYS37
|
3.0
|
57.9
|
1.0
|
CG
|
C:ASP150
|
3.0
|
45.6
|
1.0
|
CD2
|
C:HIS59
|
3.0
|
50.4
|
1.0
|
OG
|
C:SER39
|
3.4
|
70.3
|
1.0
|
OE1
|
C:GLU60
|
3.4
|
63.7
|
1.0
|
OD1
|
C:ASP150
|
3.4
|
47.3
|
1.0
|
C5N
|
C:NAP402
|
3.5
|
48.7
|
0.8
|
O
|
C:HOH537
|
3.7
|
30.0
|
0.9
|
CB
|
C:SER39
|
3.9
|
68.3
|
1.0
|
ND1
|
C:HIS59
|
3.9
|
53.6
|
1.0
|
C6N
|
C:NAP402
|
4.1
|
45.8
|
0.8
|
CG
|
C:HIS59
|
4.1
|
52.9
|
1.0
|
CE
|
C:MET151
|
4.2
|
36.2
|
1.0
|
CB
|
C:ASP150
|
4.2
|
48.7
|
1.0
|
C4N
|
C:NAP402
|
4.4
|
46.4
|
0.8
|
CD
|
C:GLU60
|
4.4
|
47.3
|
1.0
|
CA
|
C:CYS37
|
4.5
|
49.4
|
1.0
|
N
|
C:SER39
|
4.7
|
62.7
|
1.0
|
CG
|
C:GLU60
|
4.7
|
44.6
|
1.0
|
CA
|
C:SER39
|
5.0
|
67.8
|
1.0
|
|
Zinc binding site 4 out
of 4 in 7jns
Go back to
Zinc Binding Sites List in 7jns
Zinc binding site 4 out
of 4 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 Zinc with other atoms in the Zn 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
|
D:Zn401
b:45.5
occ:0.52
|
OD2
|
D:ASP150
|
1.8
|
52.7
|
1.0
|
NE2
|
D:HIS59
|
2.0
|
48.0
|
1.0
|
SG
|
D:CYS37
|
2.2
|
57.3
|
1.0
|
OE2
|
D:GLU60
|
2.3
|
58.2
|
1.0
|
CB
|
D:CYS37
|
2.6
|
46.5
|
1.0
|
CD2
|
D:HIS59
|
2.8
|
35.8
|
1.0
|
H011
|
D:VF4403
|
2.9
|
95.8
|
0.9
|
CG
|
D:ASP150
|
3.0
|
50.1
|
1.0
|
CE1
|
D:HIS59
|
3.1
|
48.3
|
1.0
|
CD
|
D:GLU60
|
3.3
|
45.3
|
1.0
|
O01
|
D:VF4403
|
3.4
|
79.2
|
0.9
|
CG
|
D:GLU60
|
3.6
|
36.4
|
1.0
|
CB
|
D:ASP150
|
3.7
|
38.5
|
1.0
|
CE
|
D:MET151
|
3.9
|
45.3
|
1.0
|
H071
|
D:VF4403
|
3.9
|
81.0
|
0.9
|
OD1
|
D:ASP150
|
4.0
|
50.7
|
1.0
|
CG
|
D:HIS59
|
4.0
|
38.5
|
1.0
|
CA
|
D:CYS37
|
4.0
|
45.6
|
1.0
|
ND1
|
D:HIS59
|
4.1
|
44.7
|
1.0
|
OE1
|
D:GLU60
|
4.3
|
52.3
|
1.0
|
C5N
|
D:NAP402
|
4.4
|
38.9
|
0.8
|
NZ
|
D:LYS346
|
4.4
|
54.4
|
1.0
|
OG
|
D:SER39
|
4.6
|
73.8
|
1.0
|
C02
|
D:VF4403
|
4.8
|
76.0
|
0.9
|
C07
|
D:VF4403
|
4.8
|
66.9
|
0.9
|
N
|
D:CYS37
|
4.8
|
40.1
|
1.0
|
CB
|
D:SER39
|
4.8
|
49.6
|
1.0
|
H082
|
D:VF4403
|
4.9
|
84.9
|
0.9
|
C
|
D:CYS37
|
5.0
|
51.2
|
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: Wed Dec 16 13:46:19 2020
|