Zinc in PDB 1lde: Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
All present enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine:
1.1.1.1;
Protein crystallography data
The structure of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine, PDB code: 1lde
was solved by
S.Ramaswamy,
B.V.Plapp,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.50
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.930,
180.200,
86.800,
90.00,
106.00,
90.00
|
R / Rfree (%)
|
20.5 /
25.6
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
(pdb code 1lde). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine, PDB code: 1lde:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 1 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn375
b:12.4
occ:1.00
|
SG
|
A:CYS46
|
2.1
|
8.3
|
1.0
|
SG
|
A:CYS174
|
2.2
|
12.2
|
1.0
|
NE2
|
A:HIS67
|
2.2
|
9.4
|
1.0
|
O
|
A:FPI378
|
2.3
|
8.0
|
1.0
|
CE1
|
A:HIS67
|
3.0
|
7.2
|
1.0
|
CB
|
A:CYS46
|
3.1
|
11.7
|
1.0
|
C7
|
A:FPI378
|
3.3
|
8.9
|
1.0
|
CD2
|
A:HIS67
|
3.4
|
7.0
|
1.0
|
CB
|
A:CYS174
|
3.4
|
13.7
|
1.0
|
C5N
|
A:NAD377
|
3.5
|
9.3
|
1.0
|
OG
|
A:SER48
|
3.7
|
12.9
|
1.0
|
C6N
|
A:NAD377
|
4.1
|
9.7
|
1.0
|
CB
|
A:SER48
|
4.1
|
11.3
|
1.0
|
C4N
|
A:NAD377
|
4.2
|
9.8
|
1.0
|
ND1
|
A:HIS67
|
4.2
|
7.9
|
1.0
|
CG
|
A:HIS67
|
4.4
|
9.3
|
1.0
|
NH2
|
A:ARG369
|
4.4
|
10.2
|
1.0
|
N
|
A:FPI378
|
4.5
|
8.6
|
1.0
|
CA
|
A:CYS46
|
4.6
|
13.0
|
1.0
|
OE2
|
A:GLU68
|
4.7
|
12.8
|
1.0
|
CA
|
A:CYS174
|
4.8
|
12.5
|
1.0
|
CE2
|
A:PHE93
|
4.8
|
10.2
|
1.0
|
N
|
A:GLY175
|
4.8
|
13.0
|
1.0
|
N
|
A:SER48
|
4.9
|
8.6
|
1.0
|
C
|
A:CYS174
|
5.0
|
14.9
|
1.0
|
|
Zinc binding site 2 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 2 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn376
b:20.2
occ:1.00
|
SG
|
A:CYS103
|
2.2
|
13.6
|
1.0
|
SG
|
A:CYS97
|
2.4
|
17.1
|
1.0
|
SG
|
A:CYS111
|
2.4
|
10.9
|
1.0
|
SG
|
A:CYS100
|
2.4
|
19.6
|
1.0
|
CB
|
A:CYS97
|
3.3
|
12.8
|
1.0
|
CB
|
A:CYS103
|
3.4
|
16.7
|
1.0
|
N
|
A:CYS97
|
3.4
|
11.8
|
1.0
|
CB
|
A:CYS100
|
3.5
|
17.3
|
1.0
|
CB
|
A:CYS111
|
3.5
|
11.2
|
1.0
|
CA
|
A:CYS97
|
3.8
|
13.6
|
1.0
|
CA
|
A:CYS111
|
3.8
|
8.6
|
1.0
|
N
|
A:GLY98
|
3.8
|
15.2
|
1.0
|
N
|
A:CYS100
|
3.9
|
22.6
|
1.0
|
N
|
A:LEU112
|
4.1
|
12.5
|
1.0
|
C
|
A:CYS97
|
4.1
|
14.7
|
1.0
|
CA
|
A:CYS100
|
4.3
|
20.9
|
1.0
|
N
|
A:CYS103
|
4.3
|
17.7
|
1.0
|
C
|
A:CYS111
|
4.3
|
10.3
|
1.0
|
CA
|
A:CYS103
|
4.4
|
18.1
|
1.0
|
N
|
A:LYS99
|
4.4
|
18.4
|
1.0
|
C
|
A:GLN96
|
4.5
|
13.9
|
1.0
|
CA
|
A:GLY98
|
4.8
|
16.7
|
1.0
|
N
|
A:LYS113
|
4.9
|
18.4
|
1.0
|
C
|
A:GLY98
|
4.9
|
17.4
|
1.0
|
C
|
A:LYS99
|
5.0
|
23.1
|
1.0
|
CA
|
A:GLN96
|
5.0
|
13.0
|
1.0
|
C
|
A:CYS100
|
5.0
|
21.7
|
1.0
|
|
Zinc binding site 3 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 3 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn375
b:12.9
occ:1.00
|
O
|
B:FPI378
|
2.2
|
7.1
|
1.0
|
SG
|
B:CYS46
|
2.2
|
10.1
|
1.0
|
NE2
|
B:HIS67
|
2.2
|
9.7
|
1.0
|
SG
|
B:CYS174
|
2.2
|
11.6
|
1.0
|
CE1
|
B:HIS67
|
3.0
|
8.4
|
1.0
|
CB
|
B:CYS46
|
3.1
|
12.0
|
1.0
|
C7
|
B:FPI378
|
3.2
|
8.8
|
1.0
|
CD2
|
B:HIS67
|
3.4
|
6.5
|
1.0
|
CB
|
B:CYS174
|
3.4
|
13.3
|
1.0
|
C5N
|
B:NAD377
|
3.4
|
8.6
|
1.0
|
OG
|
B:SER48
|
3.7
|
12.9
|
1.0
|
C6N
|
B:NAD377
|
4.1
|
10.5
|
1.0
|
CB
|
B:SER48
|
4.1
|
11.2
|
1.0
|
C4N
|
B:NAD377
|
4.2
|
9.1
|
1.0
|
ND1
|
B:HIS67
|
4.2
|
7.9
|
1.0
|
CG
|
B:HIS67
|
4.4
|
8.7
|
1.0
|
N
|
B:FPI378
|
4.4
|
8.2
|
1.0
|
NH2
|
B:ARG369
|
4.5
|
9.7
|
1.0
|
CA
|
B:CYS46
|
4.6
|
12.8
|
1.0
|
OE2
|
B:GLU68
|
4.8
|
12.4
|
1.0
|
N
|
B:SER48
|
4.8
|
8.8
|
1.0
|
CA
|
B:CYS174
|
4.8
|
12.7
|
1.0
|
CE2
|
B:PHE93
|
4.9
|
10.4
|
1.0
|
N
|
B:GLY175
|
4.9
|
13.6
|
1.0
|
|
Zinc binding site 4 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 4 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn376
b:19.4
occ:1.00
|
SG
|
B:CYS103
|
2.3
|
13.8
|
1.0
|
SG
|
B:CYS97
|
2.4
|
16.1
|
1.0
|
SG
|
B:CYS111
|
2.4
|
10.1
|
1.0
|
SG
|
B:CYS100
|
2.4
|
19.9
|
1.0
|
CB
|
B:CYS97
|
3.2
|
13.4
|
1.0
|
CB
|
B:CYS103
|
3.4
|
15.6
|
1.0
|
N
|
B:CYS97
|
3.5
|
12.6
|
1.0
|
CB
|
B:CYS111
|
3.6
|
10.9
|
1.0
|
CB
|
B:CYS100
|
3.6
|
17.4
|
1.0
|
CA
|
B:CYS97
|
3.7
|
14.1
|
1.0
|
N
|
B:CYS100
|
3.8
|
21.5
|
1.0
|
N
|
B:GLY98
|
3.9
|
14.7
|
1.0
|
CA
|
B:CYS111
|
3.9
|
9.0
|
1.0
|
C
|
B:CYS97
|
4.1
|
14.9
|
1.0
|
N
|
B:LEU112
|
4.1
|
12.0
|
1.0
|
CA
|
B:CYS100
|
4.3
|
21.1
|
1.0
|
N
|
B:CYS103
|
4.4
|
18.0
|
1.0
|
CA
|
B:CYS103
|
4.4
|
18.5
|
1.0
|
N
|
B:LYS99
|
4.4
|
17.9
|
1.0
|
C
|
B:CYS111
|
4.4
|
10.5
|
1.0
|
C
|
B:GLN96
|
4.6
|
14.0
|
1.0
|
N
|
B:LYS113
|
4.8
|
17.8
|
1.0
|
CA
|
B:GLY98
|
4.8
|
16.5
|
1.0
|
C
|
B:LYS99
|
4.9
|
22.6
|
1.0
|
CG
|
B:LYS113
|
4.9
|
25.9
|
1.0
|
CA
|
B:GLN96
|
5.0
|
12.5
|
1.0
|
C
|
B:GLY98
|
5.0
|
17.8
|
1.0
|
|
Zinc binding site 5 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 5 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn375
b:13.5
occ:1.00
|
O
|
C:FPI378
|
2.0
|
8.0
|
1.0
|
NE2
|
C:HIS67
|
2.1
|
9.1
|
1.0
|
SG
|
C:CYS174
|
2.2
|
13.8
|
1.0
|
SG
|
C:CYS46
|
2.2
|
11.2
|
1.0
|
CE1
|
C:HIS67
|
2.9
|
9.0
|
1.0
|
C7
|
C:FPI378
|
3.1
|
8.3
|
1.0
|
CD2
|
C:HIS67
|
3.2
|
8.3
|
1.0
|
CB
|
C:CYS46
|
3.3
|
11.8
|
1.0
|
CB
|
C:CYS174
|
3.4
|
14.3
|
1.0
|
C5N
|
C:NAD377
|
3.5
|
9.3
|
1.0
|
OG
|
C:SER48
|
3.9
|
14.4
|
1.0
|
C6N
|
C:NAD377
|
4.1
|
10.1
|
1.0
|
C4N
|
C:NAD377
|
4.2
|
11.7
|
1.0
|
ND1
|
C:HIS67
|
4.2
|
10.4
|
1.0
|
CB
|
C:SER48
|
4.3
|
11.6
|
1.0
|
N
|
C:FPI378
|
4.3
|
8.4
|
1.0
|
CG
|
C:HIS67
|
4.3
|
9.8
|
1.0
|
NH2
|
C:ARG369
|
4.5
|
10.9
|
1.0
|
CA
|
C:CYS174
|
4.7
|
12.8
|
1.0
|
CA
|
C:CYS46
|
4.7
|
13.2
|
1.0
|
OE2
|
C:GLU68
|
4.8
|
13.7
|
1.0
|
CE2
|
C:PHE93
|
4.8
|
10.8
|
1.0
|
N
|
C:GLY175
|
4.8
|
14.2
|
1.0
|
N
|
C:SER48
|
4.9
|
9.5
|
1.0
|
C2
|
C:FPI378
|
4.9
|
9.0
|
1.0
|
|
Zinc binding site 6 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 6 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn376
b:21.3
occ:1.00
|
SG
|
C:CYS103
|
2.1
|
12.2
|
1.0
|
SG
|
C:CYS100
|
2.4
|
19.4
|
1.0
|
SG
|
C:CYS97
|
2.5
|
16.5
|
1.0
|
SG
|
C:CYS111
|
2.5
|
13.1
|
1.0
|
CB
|
C:CYS103
|
3.1
|
18.0
|
1.0
|
CB
|
C:CYS97
|
3.5
|
13.9
|
1.0
|
N
|
C:CYS97
|
3.5
|
11.0
|
1.0
|
CB
|
C:CYS100
|
3.5
|
17.5
|
1.0
|
CB
|
C:CYS111
|
3.5
|
11.1
|
1.0
|
CA
|
C:CYS97
|
3.8
|
14.1
|
1.0
|
N
|
C:CYS100
|
3.8
|
21.7
|
1.0
|
CA
|
C:CYS111
|
3.9
|
7.7
|
1.0
|
N
|
C:GLY98
|
3.9
|
15.7
|
1.0
|
C
|
C:CYS97
|
4.0
|
15.4
|
1.0
|
N
|
C:LEU112
|
4.1
|
11.7
|
1.0
|
CA
|
C:CYS100
|
4.2
|
20.3
|
1.0
|
N
|
C:CYS103
|
4.2
|
17.8
|
1.0
|
CA
|
C:CYS103
|
4.3
|
17.9
|
1.0
|
N
|
C:LYS99
|
4.3
|
18.2
|
1.0
|
C
|
C:CYS111
|
4.3
|
9.4
|
1.0
|
C
|
C:GLN96
|
4.5
|
13.1
|
1.0
|
O
|
C:CYS100
|
4.8
|
19.8
|
1.0
|
C
|
C:CYS100
|
4.9
|
21.1
|
1.0
|
CA
|
C:GLY98
|
4.9
|
16.1
|
1.0
|
C
|
C:LYS99
|
4.9
|
23.0
|
1.0
|
C
|
C:GLY98
|
4.9
|
18.0
|
1.0
|
O
|
C:CYS97
|
5.0
|
17.8
|
1.0
|
|
Zinc binding site 7 out
of 8 in 1lde
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Zinc Binding Sites List in 1lde
Zinc binding site 7 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn375
b:14.4
occ:1.00
|
O
|
D:FPI378
|
1.9
|
8.7
|
1.0
|
NE2
|
D:HIS67
|
2.1
|
10.5
|
1.0
|
SG
|
D:CYS174
|
2.2
|
11.7
|
1.0
|
SG
|
D:CYS46
|
2.3
|
12.0
|
1.0
|
CE1
|
D:HIS67
|
3.0
|
8.1
|
1.0
|
C7
|
D:FPI378
|
3.1
|
9.9
|
1.0
|
CD2
|
D:HIS67
|
3.2
|
8.7
|
1.0
|
CB
|
D:CYS46
|
3.3
|
12.5
|
1.0
|
CB
|
D:CYS174
|
3.3
|
13.7
|
1.0
|
C5N
|
D:NAD377
|
3.5
|
9.3
|
1.0
|
OG
|
D:SER48
|
3.8
|
14.9
|
1.0
|
C6N
|
D:NAD377
|
4.1
|
10.0
|
1.0
|
ND1
|
D:HIS67
|
4.1
|
9.4
|
1.0
|
C4N
|
D:NAD377
|
4.2
|
11.0
|
1.0
|
N
|
D:FPI378
|
4.2
|
9.0
|
1.0
|
CB
|
D:SER48
|
4.3
|
11.7
|
1.0
|
CG
|
D:HIS67
|
4.3
|
10.3
|
1.0
|
NH2
|
D:ARG369
|
4.6
|
10.7
|
1.0
|
CA
|
D:CYS174
|
4.7
|
13.1
|
1.0
|
OE2
|
D:GLU68
|
4.7
|
12.7
|
1.0
|
CA
|
D:CYS46
|
4.8
|
12.7
|
1.0
|
CE2
|
D:PHE93
|
4.8
|
11.1
|
1.0
|
N
|
D:GLY175
|
4.8
|
14.0
|
1.0
|
N
|
D:SER48
|
4.8
|
9.5
|
1.0
|
C2
|
D:FPI378
|
4.9
|
10.3
|
1.0
|
|
Zinc binding site 8 out
of 8 in 1lde
Go back to
Zinc Binding Sites List in 1lde
Zinc binding site 8 out
of 8 in the Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Horse Liver Alcohol Dehydrogenase Complexed to Nadh and N-Formyl Piperdine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn376
b:20.2
occ:1.00
|
SG
|
D:CYS103
|
2.2
|
13.0
|
1.0
|
SG
|
D:CYS100
|
2.3
|
21.1
|
1.0
|
SG
|
D:CYS111
|
2.5
|
13.3
|
1.0
|
SG
|
D:CYS97
|
2.6
|
17.6
|
1.0
|
CB
|
D:CYS103
|
3.4
|
17.4
|
1.0
|
CB
|
D:CYS97
|
3.5
|
13.7
|
1.0
|
CB
|
D:CYS100
|
3.5
|
17.6
|
1.0
|
CB
|
D:CYS111
|
3.5
|
11.5
|
1.0
|
N
|
D:CYS97
|
3.6
|
12.2
|
1.0
|
N
|
D:CYS100
|
3.8
|
21.7
|
1.0
|
CA
|
D:CYS111
|
3.8
|
9.1
|
1.0
|
CA
|
D:CYS97
|
3.9
|
14.5
|
1.0
|
N
|
D:GLY98
|
3.9
|
16.0
|
1.0
|
N
|
D:LEU112
|
4.0
|
12.0
|
1.0
|
C
|
D:CYS97
|
4.2
|
15.5
|
1.0
|
C
|
D:CYS111
|
4.2
|
10.8
|
1.0
|
CA
|
D:CYS100
|
4.2
|
20.8
|
1.0
|
N
|
D:CYS103
|
4.3
|
18.3
|
1.0
|
CA
|
D:CYS103
|
4.4
|
18.2
|
1.0
|
N
|
D:LYS99
|
4.5
|
18.9
|
1.0
|
C
|
D:GLN96
|
4.6
|
13.8
|
1.0
|
CA
|
D:GLY98
|
4.9
|
17.8
|
1.0
|
N
|
D:LYS113
|
4.9
|
19.1
|
1.0
|
C
|
D:CYS100
|
4.9
|
21.4
|
1.0
|
C
|
D:LYS99
|
5.0
|
23.2
|
1.0
|
|
Reference:
S.Ramaswamy,
M.Scholze,
B.V.Plapp.
Binding of Formamides to Liver Alcohol Dehydrogenase. Biochemistry V. 36 3522 1997.
ISSN: ISSN 0006-2960
PubMed: 9132002
DOI: 10.1021/BI962491Z
Page generated: Sun Oct 13 04:58:26 2024
|