Fluorine in PDB 1hld: Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Enzymatic activity of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
All present enzymatic activity of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols:
1.1.1.1;
Protein crystallography data
The structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols, PDB code: 1hld
was solved by
S.Ramaswamy,
H.Eklund,
B.V.Plapp,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
2.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.100,
180.700,
44.300,
90.00,
108.00,
90.00
|
R / Rfree (%)
|
18.3 /
n/a
|
Other elements in 1hld:
The structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
(pdb code 1hld). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the
Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols, PDB code: 1hld:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 1 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:19.5
occ:1.00
|
F2
|
A:PFB1001
|
0.0
|
19.5
|
1.0
|
C5
|
A:BRB1003
|
1.2
|
33.7
|
1.0
|
C6
|
A:BRB1003
|
1.3
|
29.6
|
1.0
|
C2
|
A:PFB1001
|
1.3
|
19.4
|
1.0
|
C3
|
A:PFB1001
|
2.3
|
18.9
|
1.0
|
C1
|
A:PFB1001
|
2.4
|
17.9
|
1.0
|
C4
|
A:BRB1003
|
2.5
|
37.7
|
1.0
|
C1
|
A:BRB1003
|
2.6
|
25.9
|
1.0
|
F3
|
A:PFB1001
|
2.7
|
20.1
|
1.0
|
C7N
|
A:NAD801
|
2.8
|
6.7
|
1.0
|
C7
|
A:PFB1001
|
2.9
|
14.5
|
1.0
|
O7N
|
A:NAD801
|
2.9
|
10.6
|
1.0
|
C3N
|
A:NAD801
|
2.9
|
8.9
|
1.0
|
N7N
|
A:NAD801
|
3.4
|
7.2
|
1.0
|
C2N
|
A:NAD801
|
3.4
|
8.7
|
1.0
|
C3
|
A:BRB1003
|
3.4
|
35.3
|
1.0
|
C2
|
A:BRB1003
|
3.4
|
29.9
|
1.0
|
C4
|
A:PFB1001
|
3.6
|
20.9
|
1.0
|
C6
|
A:PFB1001
|
3.6
|
19.1
|
1.0
|
C4N
|
A:NAD801
|
3.7
|
8.9
|
1.0
|
O1
|
A:BRB1003
|
3.7
|
12.9
|
1.0
|
C7
|
A:BRB1003
|
3.7
|
21.4
|
1.0
|
CG2
|
A:VAL294
|
3.7
|
15.2
|
1.0
|
O1
|
A:PFB1001
|
3.8
|
8.6
|
1.0
|
BR4
|
A:BRB1003
|
3.8
|
48.3
|
1.0
|
C5
|
A:PFB1001
|
4.1
|
21.5
|
1.0
|
N1N
|
A:NAD801
|
4.3
|
9.7
|
1.0
|
CE1
|
A:PHE93
|
4.4
|
14.0
|
1.0
|
OG
|
A:SER48
|
4.5
|
15.7
|
1.0
|
C5N
|
A:NAD801
|
4.6
|
7.2
|
1.0
|
CZ
|
A:PHE93
|
4.6
|
13.2
|
1.0
|
F6
|
A:PFB1001
|
4.7
|
19.9
|
1.0
|
F4
|
A:PFB1001
|
4.7
|
21.3
|
1.0
|
CG1
|
A:ILE318
|
4.8
|
15.9
|
1.0
|
CG2
|
A:ILE318
|
4.8
|
14.8
|
1.0
|
C6N
|
A:NAD801
|
4.9
|
10.5
|
1.0
|
CD1
|
A:ILE318
|
4.9
|
20.8
|
1.0
|
CD2
|
A:LEU116
|
4.9
|
27.3
|
1.0
|
|
Fluorine binding site 2 out
of 10 in 1hld
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Fluorine Binding Sites List in 1hld
Fluorine binding site 2 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:20.1
occ:1.00
|
F3
|
A:PFB1001
|
0.0
|
20.1
|
1.0
|
C4
|
A:BRB1003
|
0.8
|
37.7
|
1.0
|
BR4
|
A:BRB1003
|
1.1
|
48.3
|
1.0
|
C3
|
A:PFB1001
|
1.3
|
18.9
|
1.0
|
C5
|
A:BRB1003
|
1.6
|
33.7
|
1.0
|
C3
|
A:BRB1003
|
2.1
|
35.3
|
1.0
|
C4
|
A:PFB1001
|
2.3
|
20.9
|
1.0
|
C2
|
A:PFB1001
|
2.3
|
19.4
|
1.0
|
F2
|
A:PFB1001
|
2.7
|
19.5
|
1.0
|
F4
|
A:PFB1001
|
2.7
|
21.3
|
1.0
|
C6
|
A:BRB1003
|
2.9
|
29.6
|
1.0
|
C2
|
A:BRB1003
|
3.3
|
29.9
|
1.0
|
CG2
|
A:VAL294
|
3.4
|
15.2
|
1.0
|
C5
|
A:PFB1001
|
3.6
|
21.5
|
1.0
|
C1
|
A:BRB1003
|
3.6
|
25.9
|
1.0
|
C1
|
A:PFB1001
|
3.6
|
17.9
|
1.0
|
O
|
A:HOH2140
|
3.8
|
45.0
|
1.0
|
CD2
|
A:LEU116
|
3.9
|
27.3
|
1.0
|
C6
|
A:PFB1001
|
4.1
|
19.1
|
1.0
|
CD2
|
B:LEU309
|
4.1
|
15.9
|
1.0
|
CG1
|
A:VAL294
|
4.2
|
7.9
|
1.0
|
CD1
|
A:ILE318
|
4.2
|
20.8
|
1.0
|
CB
|
A:VAL294
|
4.4
|
16.9
|
1.0
|
F5
|
A:PFB1001
|
4.6
|
29.1
|
1.0
|
CG1
|
A:ILE318
|
4.7
|
15.9
|
1.0
|
C7
|
A:PFB1001
|
4.8
|
14.5
|
1.0
|
CG
|
B:LEU309
|
5.0
|
18.6
|
1.0
|
CG
|
A:LEU116
|
5.0
|
31.3
|
1.0
|
|
Fluorine binding site 3 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 3 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:21.3
occ:1.00
|
F4
|
A:PFB1001
|
0.0
|
21.3
|
1.0
|
C4
|
A:PFB1001
|
1.3
|
20.9
|
1.0
|
C3
|
A:BRB1003
|
1.5
|
35.3
|
1.0
|
C4
|
A:BRB1003
|
2.3
|
37.7
|
1.0
|
C3
|
A:PFB1001
|
2.4
|
18.9
|
1.0
|
C5
|
A:PFB1001
|
2.4
|
21.5
|
1.0
|
C2
|
A:BRB1003
|
2.6
|
29.9
|
1.0
|
BR4
|
A:BRB1003
|
2.7
|
48.3
|
1.0
|
F5
|
A:PFB1001
|
2.7
|
29.1
|
1.0
|
F3
|
A:PFB1001
|
2.7
|
20.1
|
1.0
|
O
|
A:HOH2140
|
3.1
|
45.0
|
1.0
|
CD1
|
A:LEU57
|
3.3
|
30.3
|
1.0
|
C5
|
A:BRB1003
|
3.6
|
33.7
|
1.0
|
C6
|
A:PFB1001
|
3.6
|
19.1
|
1.0
|
C2
|
A:PFB1001
|
3.6
|
19.4
|
1.0
|
CD2
|
A:LEU57
|
3.6
|
27.2
|
1.0
|
C1
|
A:BRB1003
|
3.8
|
25.9
|
1.0
|
CD2
|
A:LEU116
|
4.0
|
27.3
|
1.0
|
CG
|
A:LEU57
|
4.1
|
26.0
|
1.0
|
C1
|
A:PFB1001
|
4.1
|
17.9
|
1.0
|
C6
|
A:BRB1003
|
4.2
|
29.6
|
1.0
|
CG
|
A:LEU116
|
4.3
|
31.3
|
1.0
|
CG1
|
A:VAL294
|
4.6
|
7.9
|
1.0
|
F2
|
A:PFB1001
|
4.7
|
19.5
|
1.0
|
F6
|
A:PFB1001
|
4.7
|
19.9
|
1.0
|
CB
|
A:LEU116
|
4.8
|
29.2
|
1.0
|
CG2
|
A:VAL294
|
4.8
|
15.2
|
1.0
|
|
Fluorine binding site 4 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 4 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:29.1
occ:1.00
|
F5
|
A:PFB1001
|
0.0
|
29.1
|
1.0
|
C5
|
A:PFB1001
|
1.3
|
21.5
|
1.0
|
C2
|
A:BRB1003
|
1.9
|
29.9
|
1.0
|
C6
|
A:PFB1001
|
2.3
|
19.1
|
1.0
|
C4
|
A:PFB1001
|
2.3
|
20.9
|
1.0
|
C3
|
A:BRB1003
|
2.5
|
35.3
|
1.0
|
F6
|
A:PFB1001
|
2.7
|
19.9
|
1.0
|
F4
|
A:PFB1001
|
2.7
|
21.3
|
1.0
|
C1
|
A:BRB1003
|
3.2
|
25.9
|
1.0
|
CD2
|
A:LEU57
|
3.2
|
27.2
|
1.0
|
CD1
|
A:LEU141
|
3.2
|
16.2
|
1.0
|
CZ
|
A:PHE140
|
3.4
|
11.3
|
1.0
|
C1
|
A:PFB1001
|
3.5
|
17.9
|
1.0
|
C3
|
A:PFB1001
|
3.6
|
18.9
|
1.0
|
C7
|
A:BRB1003
|
3.6
|
21.4
|
1.0
|
C4
|
A:BRB1003
|
3.9
|
37.7
|
1.0
|
CG
|
A:LEU141
|
4.0
|
12.5
|
1.0
|
CE1
|
A:PHE140
|
4.0
|
10.5
|
1.0
|
CD2
|
A:LEU141
|
4.0
|
10.6
|
1.0
|
C2
|
A:PFB1001
|
4.0
|
19.4
|
1.0
|
CG
|
A:LEU57
|
4.1
|
26.0
|
1.0
|
CB
|
A:SER48
|
4.3
|
14.0
|
1.0
|
C6
|
A:BRB1003
|
4.3
|
29.6
|
1.0
|
CE2
|
A:PHE140
|
4.3
|
10.5
|
1.0
|
CD1
|
A:LEU57
|
4.4
|
30.3
|
1.0
|
C5
|
A:BRB1003
|
4.6
|
33.7
|
1.0
|
F3
|
A:PFB1001
|
4.6
|
20.1
|
1.0
|
C7
|
A:PFB1001
|
4.7
|
14.5
|
1.0
|
OG
|
A:SER48
|
4.8
|
15.7
|
1.0
|
O
|
A:SER48
|
4.8
|
14.7
|
1.0
|
O1
|
A:BRB1003
|
4.9
|
12.9
|
1.0
|
|
Fluorine binding site 5 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 5 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:19.9
occ:1.00
|
F6
|
A:PFB1001
|
0.0
|
19.9
|
1.0
|
C6
|
A:PFB1001
|
1.3
|
19.1
|
1.0
|
C7
|
A:BRB1003
|
1.4
|
21.4
|
1.0
|
C1
|
A:BRB1003
|
2.1
|
25.9
|
1.0
|
C2
|
A:BRB1003
|
2.2
|
29.9
|
1.0
|
C1
|
A:PFB1001
|
2.3
|
17.9
|
1.0
|
C5
|
A:PFB1001
|
2.3
|
21.5
|
1.0
|
O1
|
A:BRB1003
|
2.6
|
12.9
|
1.0
|
F5
|
A:PFB1001
|
2.7
|
29.1
|
1.0
|
C7
|
A:PFB1001
|
2.7
|
14.5
|
1.0
|
O1
|
A:PFB1001
|
2.8
|
8.6
|
1.0
|
NE2
|
A:HIS67
|
3.1
|
9.9
|
1.0
|
CB
|
A:SER48
|
3.3
|
14.0
|
1.0
|
CE1
|
A:HIS67
|
3.3
|
2.0
|
1.0
|
CD2
|
A:HIS67
|
3.4
|
6.1
|
1.0
|
CD1
|
A:LEU141
|
3.4
|
16.2
|
1.0
|
C6
|
A:BRB1003
|
3.4
|
29.6
|
1.0
|
C2
|
A:PFB1001
|
3.6
|
19.4
|
1.0
|
C4
|
A:PFB1001
|
3.6
|
20.9
|
1.0
|
C3
|
A:BRB1003
|
3.6
|
35.3
|
1.0
|
ND1
|
A:HIS67
|
3.6
|
7.4
|
1.0
|
OG
|
A:SER48
|
3.7
|
15.7
|
1.0
|
CG
|
A:HIS67
|
3.7
|
8.3
|
1.0
|
ZN
|
A:ZN375
|
4.0
|
17.6
|
1.0
|
C3
|
A:PFB1001
|
4.1
|
18.9
|
1.0
|
CZ
|
A:PHE140
|
4.3
|
11.3
|
1.0
|
C5
|
A:BRB1003
|
4.5
|
33.7
|
1.0
|
CE2
|
A:PHE140
|
4.5
|
10.5
|
1.0
|
CD1
|
A:PHE93
|
4.6
|
9.8
|
1.0
|
C4
|
A:BRB1003
|
4.6
|
37.7
|
1.0
|
CE1
|
A:PHE93
|
4.6
|
14.0
|
1.0
|
F2
|
A:PFB1001
|
4.7
|
19.5
|
1.0
|
CA
|
A:SER48
|
4.7
|
13.3
|
1.0
|
F4
|
A:PFB1001
|
4.7
|
21.3
|
1.0
|
CB
|
A:HIS67
|
4.7
|
10.7
|
1.0
|
CG
|
A:LEU141
|
4.8
|
12.5
|
1.0
|
CG
|
A:PHE93
|
4.9
|
9.8
|
1.0
|
C
|
A:SER48
|
5.0
|
13.3
|
1.0
|
CZ
|
A:PHE93
|
5.0
|
13.2
|
1.0
|
CD2
|
A:LEU57
|
5.0
|
27.2
|
1.0
|
|
Fluorine binding site 6 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 6 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1002
b:23.4
occ:1.00
|
F2
|
B:PFB1002
|
0.0
|
23.4
|
1.0
|
C6
|
B:BRB1004
|
1.2
|
25.3
|
1.0
|
C5
|
B:BRB1004
|
1.3
|
32.1
|
1.0
|
C2
|
B:PFB1002
|
1.3
|
21.4
|
1.0
|
C1
|
B:PFB1002
|
2.3
|
22.5
|
1.0
|
C3
|
B:PFB1002
|
2.3
|
22.5
|
1.0
|
C1
|
B:BRB1004
|
2.6
|
27.9
|
1.0
|
C7
|
B:PFB1002
|
2.6
|
18.4
|
1.0
|
C4
|
B:BRB1004
|
2.7
|
36.4
|
1.0
|
F3
|
B:PFB1002
|
2.7
|
20.4
|
1.0
|
C7N
|
B:NAD901
|
2.8
|
9.7
|
1.0
|
O7N
|
B:NAD901
|
2.9
|
11.1
|
1.0
|
C3N
|
B:NAD901
|
2.9
|
12.0
|
1.0
|
C2N
|
B:NAD901
|
3.3
|
14.7
|
1.0
|
C2
|
B:BRB1004
|
3.4
|
31.9
|
1.0
|
C3
|
B:BRB1004
|
3.5
|
34.3
|
1.0
|
N7N
|
B:NAD901
|
3.5
|
8.3
|
1.0
|
C7
|
B:BRB1004
|
3.5
|
21.5
|
1.0
|
CG2
|
B:VAL294
|
3.6
|
16.3
|
1.0
|
C4
|
B:PFB1002
|
3.6
|
23.0
|
1.0
|
C6
|
B:PFB1002
|
3.6
|
24.9
|
1.0
|
O1
|
B:BRB1004
|
3.7
|
16.6
|
1.0
|
C4N
|
B:NAD901
|
3.7
|
16.8
|
1.0
|
O1
|
B:PFB1002
|
3.7
|
19.8
|
1.0
|
CD1
|
B:ILE318
|
3.9
|
14.1
|
1.0
|
BR4
|
B:BRB1004
|
4.0
|
48.3
|
1.0
|
C5
|
B:PFB1002
|
4.1
|
25.8
|
1.0
|
N1N
|
B:NAD901
|
4.3
|
12.8
|
1.0
|
CG2
|
B:ILE318
|
4.4
|
10.3
|
1.0
|
CE1
|
B:PHE93
|
4.4
|
10.9
|
1.0
|
OG
|
B:SER48
|
4.5
|
19.3
|
1.0
|
C5N
|
B:NAD901
|
4.6
|
11.1
|
1.0
|
F4
|
B:PFB1002
|
4.6
|
23.7
|
1.0
|
CZ
|
B:PHE93
|
4.7
|
8.3
|
1.0
|
F6
|
B:PFB1002
|
4.7
|
21.5
|
1.0
|
C6N
|
B:NAD901
|
4.8
|
16.1
|
1.0
|
CD2
|
B:LEU116
|
4.9
|
26.9
|
1.0
|
CA
|
B:ILE318
|
5.0
|
14.6
|
1.0
|
|
Fluorine binding site 7 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 7 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1002
b:20.4
occ:1.00
|
F3
|
B:PFB1002
|
0.0
|
20.4
|
1.0
|
C4
|
B:BRB1004
|
1.0
|
36.4
|
1.0
|
BR4
|
B:BRB1004
|
1.2
|
48.3
|
1.0
|
C3
|
B:PFB1002
|
1.3
|
22.5
|
1.0
|
C5
|
B:BRB1004
|
1.6
|
32.1
|
1.0
|
C4
|
B:PFB1002
|
2.3
|
23.0
|
1.0
|
C2
|
B:PFB1002
|
2.3
|
21.4
|
1.0
|
C3
|
B:BRB1004
|
2.4
|
34.3
|
1.0
|
F4
|
B:PFB1002
|
2.6
|
23.7
|
1.0
|
F2
|
B:PFB1002
|
2.7
|
23.4
|
1.0
|
C6
|
B:BRB1004
|
2.9
|
25.3
|
1.0
|
CG2
|
B:VAL294
|
3.2
|
16.3
|
1.0
|
CD1
|
B:ILE318
|
3.4
|
14.1
|
1.0
|
C2
|
B:BRB1004
|
3.4
|
31.9
|
1.0
|
C5
|
B:PFB1002
|
3.6
|
25.8
|
1.0
|
C1
|
B:PFB1002
|
3.6
|
22.5
|
1.0
|
C1
|
B:BRB1004
|
3.7
|
27.9
|
1.0
|
CD2
|
B:LEU116
|
3.8
|
26.9
|
1.0
|
O
|
B:HOH2057
|
4.1
|
61.4
|
1.0
|
CD2
|
A:LEU309
|
4.1
|
21.0
|
1.0
|
C6
|
B:PFB1002
|
4.1
|
24.9
|
1.0
|
CB
|
B:VAL294
|
4.4
|
17.2
|
1.0
|
CG1
|
B:VAL294
|
4.4
|
12.3
|
1.0
|
F5
|
B:PFB1002
|
4.7
|
28.1
|
1.0
|
C7
|
B:PFB1002
|
4.7
|
18.4
|
1.0
|
CG1
|
B:ILE318
|
4.8
|
14.1
|
1.0
|
CG
|
A:LEU309
|
4.9
|
18.2
|
1.0
|
CE
|
A:MET306
|
5.0
|
41.5
|
1.0
|
|
Fluorine binding site 8 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 8 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1002
b:23.7
occ:1.00
|
F4
|
B:PFB1002
|
0.0
|
23.7
|
1.0
|
C4
|
B:PFB1002
|
1.3
|
23.0
|
1.0
|
C3
|
B:BRB1004
|
1.5
|
34.3
|
1.0
|
C4
|
B:BRB1004
|
2.0
|
36.4
|
1.0
|
BR4
|
B:BRB1004
|
2.1
|
48.3
|
1.0
|
C3
|
B:PFB1002
|
2.3
|
22.5
|
1.0
|
C5
|
B:PFB1002
|
2.4
|
25.8
|
1.0
|
F3
|
B:PFB1002
|
2.6
|
20.4
|
1.0
|
F5
|
B:PFB1002
|
2.8
|
28.1
|
1.0
|
C2
|
B:BRB1004
|
2.9
|
31.9
|
1.0
|
O
|
B:HOH2057
|
3.2
|
61.4
|
1.0
|
C5
|
B:BRB1004
|
3.4
|
32.1
|
1.0
|
CD1
|
B:LEU57
|
3.6
|
31.8
|
1.0
|
C2
|
B:PFB1002
|
3.6
|
21.4
|
1.0
|
C6
|
B:PFB1002
|
3.7
|
24.9
|
1.0
|
CD2
|
B:LEU116
|
3.7
|
26.9
|
1.0
|
CD2
|
B:LEU57
|
3.8
|
28.6
|
1.0
|
C1
|
B:BRB1004
|
4.0
|
27.9
|
1.0
|
C1
|
B:PFB1002
|
4.1
|
22.5
|
1.0
|
C6
|
B:BRB1004
|
4.1
|
25.3
|
1.0
|
CG
|
B:LEU57
|
4.3
|
31.7
|
1.0
|
CG
|
B:LEU116
|
4.4
|
25.1
|
1.0
|
CG2
|
B:VAL294
|
4.6
|
16.3
|
1.0
|
F2
|
B:PFB1002
|
4.6
|
23.4
|
1.0
|
CG1
|
B:VAL294
|
4.7
|
12.3
|
1.0
|
CB
|
B:LEU116
|
4.7
|
26.6
|
1.0
|
F6
|
B:PFB1002
|
4.8
|
21.5
|
1.0
|
|
Fluorine binding site 9 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 9 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1002
b:28.1
occ:1.00
|
F5
|
B:PFB1002
|
0.0
|
28.1
|
1.0
|
C5
|
B:PFB1002
|
1.3
|
25.8
|
1.0
|
C2
|
B:BRB1004
|
2.0
|
31.9
|
1.0
|
C3
|
B:BRB1004
|
2.3
|
34.3
|
1.0
|
C6
|
B:PFB1002
|
2.3
|
24.9
|
1.0
|
C4
|
B:PFB1002
|
2.4
|
23.0
|
1.0
|
F6
|
B:PFB1002
|
2.7
|
21.5
|
1.0
|
F4
|
B:PFB1002
|
2.8
|
23.7
|
1.0
|
CD2
|
B:LEU57
|
3.2
|
28.6
|
1.0
|
C1
|
B:BRB1004
|
3.3
|
27.9
|
1.0
|
CZ
|
B:PHE140
|
3.4
|
10.9
|
1.0
|
C1
|
B:PFB1002
|
3.6
|
22.5
|
1.0
|
C3
|
B:PFB1002
|
3.6
|
22.5
|
1.0
|
CD1
|
B:LEU141
|
3.6
|
17.5
|
1.0
|
C4
|
B:BRB1004
|
3.7
|
36.4
|
1.0
|
CD2
|
B:LEU141
|
3.9
|
18.5
|
1.0
|
CE1
|
B:PHE140
|
4.0
|
9.7
|
1.0
|
C7
|
B:BRB1004
|
4.0
|
21.5
|
1.0
|
C2
|
B:PFB1002
|
4.1
|
21.4
|
1.0
|
CG
|
B:LEU57
|
4.2
|
31.7
|
1.0
|
CG
|
B:LEU141
|
4.2
|
13.2
|
1.0
|
CB
|
B:SER48
|
4.3
|
20.7
|
1.0
|
CE2
|
B:PHE140
|
4.4
|
15.6
|
1.0
|
C6
|
B:BRB1004
|
4.4
|
25.3
|
1.0
|
CD1
|
B:LEU57
|
4.4
|
31.8
|
1.0
|
C5
|
B:BRB1004
|
4.5
|
32.1
|
1.0
|
F3
|
B:PFB1002
|
4.7
|
20.4
|
1.0
|
BR4
|
B:BRB1004
|
4.7
|
48.3
|
1.0
|
C7
|
B:PFB1002
|
4.8
|
18.4
|
1.0
|
O
|
B:SER48
|
4.8
|
13.6
|
1.0
|
CD2
|
B:LEU116
|
4.8
|
26.9
|
1.0
|
OG
|
B:SER48
|
4.9
|
19.3
|
1.0
|
O1
|
B:BRB1004
|
4.9
|
16.6
|
1.0
|
|
Fluorine binding site 10 out
of 10 in 1hld
Go back to
Fluorine Binding Sites List in 1hld
Fluorine binding site 10 out
of 10 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1002
b:21.5
occ:1.00
|
F6
|
B:PFB1002
|
0.0
|
21.5
|
1.0
|
C6
|
B:PFB1002
|
1.3
|
24.9
|
1.0
|
C7
|
B:BRB1004
|
1.7
|
21.5
|
1.0
|
C2
|
B:BRB1004
|
2.1
|
31.9
|
1.0
|
C1
|
B:BRB1004
|
2.2
|
27.9
|
1.0
|
C5
|
B:PFB1002
|
2.4
|
25.8
|
1.0
|
C1
|
B:PFB1002
|
2.4
|
22.5
|
1.0
|
O1
|
B:BRB1004
|
2.6
|
16.6
|
1.0
|
F5
|
B:PFB1002
|
2.7
|
28.1
|
1.0
|
O1
|
B:PFB1002
|
2.8
|
19.8
|
1.0
|
C7
|
B:PFB1002
|
2.9
|
18.4
|
1.0
|
CB
|
B:SER48
|
3.1
|
20.7
|
1.0
|
NE2
|
B:HIS67
|
3.1
|
15.8
|
1.0
|
CE1
|
B:HIS67
|
3.2
|
11.7
|
1.0
|
C3
|
B:BRB1004
|
3.5
|
34.3
|
1.0
|
CD1
|
B:LEU141
|
3.5
|
17.5
|
1.0
|
CD2
|
B:HIS67
|
3.5
|
12.7
|
1.0
|
C6
|
B:BRB1004
|
3.5
|
25.3
|
1.0
|
ND1
|
B:HIS67
|
3.5
|
14.0
|
1.0
|
OG
|
B:SER48
|
3.6
|
19.3
|
1.0
|
C2
|
B:PFB1002
|
3.6
|
21.4
|
1.0
|
C4
|
B:PFB1002
|
3.7
|
23.0
|
1.0
|
CG
|
B:HIS67
|
3.8
|
17.2
|
1.0
|
ZN
|
B:ZN775
|
4.0
|
22.6
|
1.0
|
C3
|
B:PFB1002
|
4.1
|
22.5
|
1.0
|
CZ
|
B:PHE140
|
4.3
|
10.9
|
1.0
|
CE2
|
B:PHE140
|
4.5
|
15.6
|
1.0
|
C4
|
B:BRB1004
|
4.5
|
36.4
|
1.0
|
C5
|
B:BRB1004
|
4.5
|
32.1
|
1.0
|
CA
|
B:SER48
|
4.5
|
18.2
|
1.0
|
F2
|
B:PFB1002
|
4.7
|
23.4
|
1.0
|
C
|
B:SER48
|
4.8
|
16.0
|
1.0
|
F4
|
B:PFB1002
|
4.8
|
23.7
|
1.0
|
CD1
|
B:PHE93
|
4.8
|
9.3
|
1.0
|
CG
|
B:LEU141
|
4.8
|
13.2
|
1.0
|
CE1
|
B:PHE93
|
4.8
|
10.9
|
1.0
|
CB
|
B:HIS67
|
4.8
|
17.4
|
1.0
|
O
|
B:SER48
|
4.9
|
13.6
|
1.0
|
|
Reference:
S.Ramaswamy,
H.Eklund,
B.V.Plapp.
Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols. Biochemistry V. 33 5230 1994.
ISSN: ISSN 0006-2960
PubMed: 8172897
DOI: 10.1021/BI00183A028
Page generated: Wed Jul 31 11:31:14 2024
|