Fluorine in PDB 7uef: Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
Enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
All present enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K:
1.1.1.1;
Protein crystallography data
The structure of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K, PDB code: 7uef
was solved by
B.V.Plapp,
L.Gakhar,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.98 /
1.20
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
44.28,
51.27,
92.5,
91.81,
103.05,
110.05
|
R / Rfree (%)
|
12.3 /
14.8
|
Other elements in 7uef:
The structure of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
(pdb code 7uef). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the
Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K, PDB code: 7uef:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 10 in 7uef
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Fluorine Binding Sites List in 7uef
Fluorine binding site 1 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_01.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F404
b:11.8
occ:1.00
|
F2
|
A:PFB404
|
0.0
|
11.8
|
1.0
|
C2
|
A:PFB404
|
1.3
|
10.0
|
1.0
|
C3
|
A:PFB404
|
2.3
|
11.3
|
1.0
|
C1
|
A:PFB404
|
2.4
|
9.8
|
1.0
|
F3
|
A:PFB404
|
2.7
|
11.8
|
1.0
|
C7N
|
A:NAJ403
|
2.8
|
7.7
|
1.0
|
C7
|
A:PFB404
|
2.9
|
9.6
|
1.0
|
C3N
|
A:NAJ403
|
3.0
|
8.0
|
1.0
|
O7N
|
A:NAJ403
|
3.0
|
8.5
|
1.0
|
C2N
|
A:NAJ403
|
3.3
|
7.1
|
1.0
|
N7N
|
A:NAJ403
|
3.4
|
8.1
|
1.0
|
C4
|
A:PFB404
|
3.6
|
10.9
|
1.0
|
C6
|
A:PFB404
|
3.6
|
11.5
|
1.0
|
CD1
|
A:ILE318
|
3.7
|
13.3
|
1.0
|
O1
|
A:PFB404
|
3.8
|
9.7
|
1.0
|
CG2
|
A:VAL294
|
3.8
|
10.0
|
0.6
|
CG2
|
A:VAL294
|
3.8
|
9.8
|
0.4
|
C4N
|
A:NAJ403
|
3.8
|
8.9
|
1.0
|
C5
|
A:PFB404
|
4.1
|
10.7
|
1.0
|
N1N
|
A:NAJ403
|
4.3
|
7.5
|
1.0
|
OG
|
A:SER48
|
4.5
|
8.6
|
1.0
|
CG2
|
A:ILE318
|
4.5
|
9.3
|
1.0
|
CE1
|
A:PHE93
|
4.6
|
8.7
|
1.0
|
CD1
|
A:LEU116
|
4.6
|
16.2
|
0.3
|
F4
|
A:PFB404
|
4.7
|
13.6
|
1.0
|
C5N
|
A:NAJ403
|
4.7
|
8.6
|
1.0
|
CD2
|
A:LEU116
|
4.7
|
14.7
|
0.7
|
F6
|
A:PFB404
|
4.7
|
11.0
|
1.0
|
CD2
|
B:LEU309
|
4.7
|
13.3
|
0.7
|
CZ
|
A:PHE93
|
4.8
|
8.8
|
1.0
|
C6N
|
A:NAJ403
|
4.9
|
7.7
|
1.0
|
CG1
|
A:ILE318
|
4.9
|
10.2
|
1.0
|
|
Fluorine binding site 2 out
of 10 in 7uef
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Fluorine Binding Sites List in 7uef
Fluorine binding site 2 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_02.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F404
b:11.8
occ:1.00
|
F3
|
A:PFB404
|
0.0
|
11.8
|
1.0
|
C3
|
A:PFB404
|
1.3
|
11.3
|
1.0
|
C4
|
A:PFB404
|
2.3
|
10.9
|
1.0
|
C2
|
A:PFB404
|
2.4
|
10.0
|
1.0
|
F2
|
A:PFB404
|
2.7
|
11.8
|
1.0
|
F4
|
A:PFB404
|
2.7
|
13.6
|
1.0
|
CD2
|
A:LEU116
|
3.4
|
15.3
|
0.3
|
CG2
|
A:VAL294
|
3.5
|
9.8
|
0.4
|
CG2
|
A:VAL294
|
3.5
|
10.0
|
0.6
|
CD1
|
A:ILE318
|
3.5
|
13.3
|
1.0
|
C5
|
A:PFB404
|
3.6
|
10.7
|
1.0
|
C1
|
A:PFB404
|
3.6
|
9.8
|
1.0
|
CD2
|
B:LEU309
|
3.7
|
13.3
|
0.7
|
CD2
|
A:LEU116
|
3.7
|
14.7
|
0.7
|
CD1
|
A:LEU116
|
3.8
|
16.2
|
0.3
|
O
|
A:HOH950
|
3.9
|
35.8
|
1.0
|
CG
|
A:LEU116
|
3.9
|
15.2
|
0.3
|
C6
|
A:PFB404
|
4.1
|
11.5
|
1.0
|
CG1
|
A:VAL294
|
4.5
|
10.8
|
0.4
|
CB
|
A:VAL294
|
4.6
|
9.4
|
0.4
|
F5
|
A:PFB404
|
4.7
|
12.1
|
1.0
|
CB
|
A:VAL294
|
4.7
|
10.5
|
0.6
|
CG1
|
A:VAL294
|
4.7
|
10.8
|
0.6
|
CG
|
A:LEU116
|
4.8
|
12.7
|
0.7
|
CG
|
B:LEU309
|
4.8
|
11.8
|
0.7
|
CG1
|
A:ILE318
|
4.9
|
10.2
|
1.0
|
C7
|
A:PFB404
|
4.9
|
9.6
|
1.0
|
CE
|
B:MET306
|
4.9
|
20.2
|
1.0
|
|
Fluorine binding site 3 out
of 10 in 7uef
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Fluorine Binding Sites List in 7uef
Fluorine binding site 3 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_03.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F404
b:13.6
occ:1.00
|
F4
|
A:PFB404
|
0.0
|
13.6
|
1.0
|
C4
|
A:PFB404
|
1.3
|
10.9
|
1.0
|
C5
|
A:PFB404
|
2.3
|
10.7
|
1.0
|
C3
|
A:PFB404
|
2.3
|
11.3
|
1.0
|
F5
|
A:PFB404
|
2.7
|
12.1
|
1.0
|
F3
|
A:PFB404
|
2.7
|
11.8
|
1.0
|
CD1
|
A:LEU57
|
3.2
|
17.4
|
0.3
|
CD2
|
A:LEU57
|
3.3
|
14.2
|
0.7
|
CG
|
A:LEU116
|
3.4
|
15.2
|
0.3
|
CD2
|
A:LEU57
|
3.5
|
16.1
|
0.3
|
C6
|
A:PFB404
|
3.6
|
11.5
|
1.0
|
C2
|
A:PFB404
|
3.6
|
10.0
|
1.0
|
CD2
|
A:LEU116
|
3.6
|
15.3
|
0.3
|
O
|
A:HOH950
|
3.7
|
35.8
|
1.0
|
CD1
|
A:LEU57
|
3.7
|
12.7
|
0.7
|
CD1
|
A:LEU116
|
3.8
|
16.2
|
0.3
|
CD2
|
A:LEU116
|
3.9
|
14.7
|
0.7
|
O
|
A:HOH790
|
3.9
|
40.2
|
1.0
|
CG
|
A:LEU57
|
4.0
|
13.9
|
0.3
|
CG
|
A:LEU116
|
4.1
|
12.7
|
0.7
|
CG
|
A:LEU57
|
4.1
|
13.0
|
0.7
|
C1
|
A:PFB404
|
4.1
|
9.8
|
1.0
|
CB
|
A:LEU116
|
4.5
|
13.0
|
0.7
|
F6
|
A:PFB404
|
4.6
|
11.0
|
1.0
|
F2
|
A:PFB404
|
4.7
|
11.8
|
1.0
|
CB
|
A:LEU116
|
4.7
|
16.5
|
0.3
|
CG2
|
A:VAL294
|
4.8
|
10.0
|
0.6
|
O
|
A:LEU116
|
4.8
|
20.9
|
1.0
|
CG1
|
A:VAL294
|
4.8
|
10.8
|
0.4
|
CD2
|
A:LEU141
|
4.9
|
12.3
|
1.0
|
CG2
|
A:VAL294
|
4.9
|
9.8
|
0.4
|
CG1
|
A:VAL294
|
5.0
|
10.8
|
0.6
|
CA
|
A:LEU116
|
5.0
|
13.5
|
0.3
|
CA
|
A:LEU116
|
5.0
|
12.7
|
0.7
|
|
Fluorine binding site 4 out
of 10 in 7uef
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Fluorine Binding Sites List in 7uef
Fluorine binding site 4 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_04.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F404
b:12.1
occ:1.00
|
F5
|
A:PFB404
|
0.0
|
12.1
|
1.0
|
C5
|
A:PFB404
|
1.3
|
10.7
|
1.0
|
C4
|
A:PFB404
|
2.3
|
10.9
|
1.0
|
C6
|
A:PFB404
|
2.4
|
11.5
|
1.0
|
F6
|
A:PFB404
|
2.7
|
11.0
|
1.0
|
F4
|
A:PFB404
|
2.7
|
13.6
|
1.0
|
CD2
|
A:LEU57
|
2.7
|
16.1
|
0.3
|
CD1
|
A:LEU57
|
3.2
|
12.7
|
0.7
|
CZ
|
A:PHE140
|
3.3
|
10.4
|
1.0
|
CD1
|
A:LEU141
|
3.4
|
11.4
|
1.0
|
C3
|
A:PFB404
|
3.6
|
11.3
|
1.0
|
C1
|
A:PFB404
|
3.6
|
9.8
|
1.0
|
CD2
|
A:LEU141
|
3.7
|
12.3
|
1.0
|
CE1
|
A:PHE140
|
3.7
|
11.3
|
1.0
|
CG
|
A:LEU141
|
3.9
|
10.5
|
1.0
|
CG
|
A:LEU57
|
4.0
|
13.9
|
0.3
|
C2
|
A:PFB404
|
4.1
|
10.0
|
1.0
|
CD1
|
A:LEU57
|
4.2
|
17.4
|
0.3
|
CE2
|
A:PHE140
|
4.3
|
11.4
|
1.0
|
CG
|
A:LEU57
|
4.3
|
13.0
|
0.7
|
CD2
|
A:LEU57
|
4.4
|
14.2
|
0.7
|
CB
|
A:SER48
|
4.5
|
9.5
|
1.0
|
CD1
|
A:LEU116
|
4.6
|
16.2
|
0.3
|
F3
|
A:PFB404
|
4.7
|
11.8
|
1.0
|
CG
|
A:LEU116
|
4.8
|
15.2
|
0.3
|
C7
|
A:PFB404
|
4.9
|
9.6
|
1.0
|
CG
|
A:LEU116
|
4.9
|
12.7
|
0.7
|
CD1
|
A:PHE140
|
4.9
|
10.1
|
1.0
|
OG
|
A:SER48
|
5.0
|
8.6
|
1.0
|
|
Fluorine binding site 5 out
of 10 in 7uef
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Fluorine Binding Sites List in 7uef
Fluorine binding site 5 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_05.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F404
b:11.0
occ:1.00
|
F6
|
A:PFB404
|
0.0
|
11.0
|
1.0
|
C6
|
A:PFB404
|
1.3
|
11.5
|
1.0
|
C5
|
A:PFB404
|
2.3
|
10.7
|
1.0
|
C1
|
A:PFB404
|
2.4
|
9.8
|
1.0
|
F5
|
A:PFB404
|
2.7
|
12.1
|
1.0
|
C7
|
A:PFB404
|
2.8
|
9.6
|
1.0
|
O1
|
A:PFB404
|
3.2
|
9.7
|
1.0
|
CD1
|
A:LEU141
|
3.2
|
11.4
|
1.0
|
CB
|
A:SER48
|
3.2
|
9.5
|
1.0
|
NE2
|
A:HIS67
|
3.3
|
9.6
|
1.0
|
CE1
|
A:HIS67
|
3.4
|
9.3
|
1.0
|
CD2
|
A:HIS67
|
3.5
|
9.0
|
1.0
|
C4
|
A:PFB404
|
3.5
|
10.9
|
1.0
|
C2
|
A:PFB404
|
3.6
|
10.0
|
1.0
|
OG
|
A:SER48
|
3.7
|
8.6
|
1.0
|
ND1
|
A:HIS67
|
3.7
|
9.3
|
1.0
|
CG
|
A:HIS67
|
3.7
|
8.6
|
1.0
|
C3
|
A:PFB404
|
4.1
|
11.3
|
1.0
|
CZ
|
A:PHE140
|
4.1
|
10.4
|
1.0
|
ZN
|
A:ZN401
|
4.1
|
9.7
|
1.0
|
CE2
|
A:PHE140
|
4.3
|
11.4
|
1.0
|
CG
|
A:LEU141
|
4.5
|
10.5
|
1.0
|
CA
|
A:SER48
|
4.6
|
9.1
|
1.0
|
F4
|
A:PFB404
|
4.6
|
13.6
|
1.0
|
CB
|
A:HIS67
|
4.7
|
8.8
|
1.0
|
F2
|
A:PFB404
|
4.7
|
11.8
|
1.0
|
CD1
|
A:PHE93
|
4.7
|
8.5
|
1.0
|
CD1
|
A:LEU57
|
4.8
|
12.7
|
0.7
|
CD2
|
A:LEU57
|
4.8
|
16.1
|
0.3
|
CE1
|
A:PHE93
|
4.8
|
8.7
|
1.0
|
C
|
A:SER48
|
4.8
|
9.8
|
1.0
|
|
Fluorine binding site 6 out
of 10 in 7uef
Go back to
Fluorine Binding Sites List in 7uef
Fluorine binding site 6 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_06.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:14.0
occ:1.00
|
F2
|
B:PFB404
|
0.0
|
14.0
|
1.0
|
C2
|
B:PFB404
|
1.3
|
14.6
|
1.0
|
C3
|
B:PFB404
|
2.3
|
13.1
|
1.0
|
C1
|
B:PFB404
|
2.4
|
13.1
|
1.0
|
F3
|
B:PFB404
|
2.7
|
14.3
|
1.0
|
C7N
|
B:NAJ403
|
2.9
|
9.8
|
1.0
|
C7
|
B:PFB404
|
2.9
|
11.4
|
1.0
|
O7N
|
B:NAJ403
|
3.0
|
10.4
|
1.0
|
C3N
|
B:NAJ403
|
3.0
|
9.8
|
1.0
|
C2N
|
B:NAJ403
|
3.3
|
10.3
|
1.0
|
N7N
|
B:NAJ403
|
3.4
|
10.3
|
1.0
|
CG2
|
B:VAL294
|
3.5
|
14.6
|
0.5
|
C4
|
B:PFB404
|
3.6
|
15.5
|
1.0
|
C6
|
B:PFB404
|
3.6
|
13.4
|
1.0
|
CD1
|
B:ILE318
|
3.7
|
17.4
|
1.0
|
O1
|
B:PFB404
|
3.8
|
13.1
|
1.0
|
C4N
|
B:NAJ403
|
3.8
|
11.1
|
1.0
|
CG2
|
B:VAL294
|
4.0
|
10.8
|
0.5
|
C5
|
B:PFB404
|
4.1
|
14.7
|
1.0
|
N1N
|
B:NAJ403
|
4.3
|
10.6
|
1.0
|
OG
|
B:SER48
|
4.5
|
11.4
|
1.0
|
CE1
|
B:PHE93
|
4.6
|
11.5
|
1.0
|
CD1
|
B:LEU116
|
4.6
|
22.1
|
0.4
|
CG2
|
B:ILE318
|
4.6
|
11.9
|
1.0
|
CD2
|
B:LEU116
|
4.7
|
19.8
|
0.6
|
F4
|
B:PFB404
|
4.7
|
16.0
|
1.0
|
CD2
|
A:LEU309
|
4.7
|
14.7
|
0.7
|
C5N
|
B:NAJ403
|
4.7
|
10.2
|
1.0
|
F6
|
B:PFB404
|
4.7
|
13.9
|
1.0
|
CZ
|
B:PHE93
|
4.8
|
12.6
|
1.0
|
CG1
|
B:ILE318
|
4.9
|
12.5
|
1.0
|
C6N
|
B:NAJ403
|
4.9
|
10.9
|
1.0
|
CB
|
B:VAL294
|
5.0
|
13.6
|
0.5
|
|
Fluorine binding site 7 out
of 10 in 7uef
Go back to
Fluorine Binding Sites List in 7uef
Fluorine binding site 7 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_07.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:14.3
occ:1.00
|
F3
|
B:PFB404
|
0.0
|
14.3
|
1.0
|
C3
|
B:PFB404
|
1.3
|
13.1
|
1.0
|
C4
|
B:PFB404
|
2.4
|
15.5
|
1.0
|
C2
|
B:PFB404
|
2.4
|
14.6
|
1.0
|
F2
|
B:PFB404
|
2.7
|
14.0
|
1.0
|
F4
|
B:PFB404
|
2.7
|
16.0
|
1.0
|
CG2
|
B:VAL294
|
3.3
|
14.6
|
0.5
|
CD2
|
B:LEU116
|
3.6
|
19.0
|
0.4
|
CD1
|
B:ILE318
|
3.6
|
17.4
|
1.0
|
CG2
|
B:VAL294
|
3.6
|
10.8
|
0.5
|
C5
|
B:PFB404
|
3.6
|
14.7
|
1.0
|
C1
|
B:PFB404
|
3.6
|
13.1
|
1.0
|
CD2
|
A:LEU309
|
3.7
|
14.7
|
0.7
|
CD1
|
B:LEU116
|
3.7
|
22.1
|
0.4
|
CD2
|
B:LEU116
|
3.7
|
19.8
|
0.6
|
CG
|
B:LEU116
|
4.0
|
20.0
|
0.4
|
C6
|
B:PFB404
|
4.1
|
13.4
|
1.0
|
CG1
|
B:VAL294
|
4.2
|
12.9
|
0.5
|
CB
|
B:VAL294
|
4.3
|
13.6
|
0.5
|
F5
|
B:PFB404
|
4.7
|
15.8
|
1.0
|
CG
|
A:LEU309
|
4.8
|
13.2
|
0.7
|
CG
|
B:LEU116
|
4.8
|
15.4
|
0.6
|
CB
|
B:VAL294
|
4.9
|
9.7
|
0.5
|
CG1
|
B:VAL294
|
4.9
|
10.7
|
0.5
|
CG1
|
B:ILE318
|
4.9
|
12.5
|
1.0
|
C7
|
B:PFB404
|
4.9
|
11.4
|
1.0
|
|
Fluorine binding site 8 out
of 10 in 7uef
Go back to
Fluorine Binding Sites List in 7uef
Fluorine binding site 8 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_08.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:16.0
occ:1.00
|
F4
|
B:PFB404
|
0.0
|
16.0
|
1.0
|
C4
|
B:PFB404
|
1.4
|
15.5
|
1.0
|
C3
|
B:PFB404
|
2.4
|
13.1
|
1.0
|
C5
|
B:PFB404
|
2.4
|
14.7
|
1.0
|
F3
|
B:PFB404
|
2.7
|
14.3
|
1.0
|
F5
|
B:PFB404
|
2.7
|
15.8
|
1.0
|
CD2
|
B:LEU57
|
3.3
|
22.8
|
1.0
|
CG
|
B:LEU116
|
3.4
|
20.0
|
0.4
|
CD2
|
B:LEU116
|
3.5
|
19.0
|
0.4
|
C6
|
B:PFB404
|
3.6
|
13.4
|
1.0
|
C2
|
B:PFB404
|
3.6
|
14.6
|
1.0
|
CD1
|
B:LEU57
|
3.6
|
24.2
|
1.0
|
O
|
B:HOH747
|
3.7
|
33.8
|
1.0
|
CD1
|
B:LEU116
|
3.8
|
22.1
|
0.4
|
CD2
|
B:LEU116
|
4.0
|
19.8
|
0.6
|
CG
|
B:LEU57
|
4.1
|
21.5
|
1.0
|
C1
|
B:PFB404
|
4.1
|
13.1
|
1.0
|
CG
|
B:LEU116
|
4.2
|
15.4
|
0.6
|
CG1
|
B:VAL294
|
4.5
|
12.9
|
0.5
|
CB
|
B:LEU116
|
4.6
|
17.8
|
0.6
|
F2
|
B:PFB404
|
4.7
|
14.0
|
1.0
|
CG2
|
B:VAL294
|
4.7
|
14.6
|
0.5
|
O
|
B:LEU116
|
4.7
|
22.1
|
0.4
|
F6
|
B:PFB404
|
4.7
|
13.9
|
1.0
|
CB
|
B:LEU116
|
4.8
|
19.5
|
0.4
|
CG2
|
B:VAL294
|
5.0
|
10.8
|
0.5
|
CD2
|
B:LEU141
|
5.0
|
16.6
|
1.0
|
|
Fluorine binding site 9 out
of 10 in 7uef
Go back to
Fluorine Binding Sites List in 7uef
Fluorine binding site 9 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_09.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:15.8
occ:1.00
|
F5
|
B:PFB404
|
0.0
|
15.8
|
1.0
|
C5
|
B:PFB404
|
1.3
|
14.7
|
1.0
|
C4
|
B:PFB404
|
2.3
|
15.5
|
1.0
|
C6
|
B:PFB404
|
2.4
|
13.4
|
1.0
|
F4
|
B:PFB404
|
2.7
|
16.0
|
1.0
|
F6
|
B:PFB404
|
2.7
|
13.9
|
1.0
|
CD1
|
B:LEU57
|
3.2
|
24.2
|
1.0
|
CZ
|
B:PHE140
|
3.3
|
14.7
|
1.0
|
CD1
|
B:LEU141
|
3.4
|
14.2
|
1.0
|
C3
|
B:PFB404
|
3.6
|
13.1
|
1.0
|
C1
|
B:PFB404
|
3.6
|
13.1
|
1.0
|
CD2
|
B:LEU141
|
3.7
|
16.6
|
1.0
|
CE1
|
B:PHE140
|
3.8
|
13.9
|
1.0
|
CG
|
B:LEU141
|
4.0
|
13.5
|
1.0
|
C2
|
B:PFB404
|
4.1
|
14.6
|
1.0
|
CE2
|
B:PHE140
|
4.2
|
14.5
|
1.0
|
CG
|
B:LEU57
|
4.4
|
21.5
|
1.0
|
CB
|
B:SER48
|
4.4
|
11.8
|
1.0
|
O
|
B:HOH747
|
4.5
|
33.8
|
1.0
|
CD2
|
B:LEU57
|
4.5
|
22.8
|
1.0
|
CD1
|
B:LEU116
|
4.6
|
22.1
|
0.4
|
O
|
B:HOH591
|
4.7
|
28.5
|
1.0
|
F3
|
B:PFB404
|
4.7
|
14.3
|
1.0
|
CG
|
B:LEU116
|
4.7
|
20.0
|
0.4
|
C7
|
B:PFB404
|
4.9
|
11.4
|
1.0
|
CG
|
B:LEU116
|
4.9
|
15.4
|
0.6
|
CD1
|
B:PHE140
|
5.0
|
13.9
|
1.0
|
O
|
B:SER48
|
5.0
|
13.0
|
1.0
|
|
Fluorine binding site 10 out
of 10 in 7uef
Go back to
Fluorine Binding Sites List in 7uef
Fluorine binding site 10 out
of 10 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K
![](/pictures/F/pdb/ue/7uef-F-sphere_10.jpg) Mono view
![](/pictures/F/pdb/ue/7uef-F-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 85 K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:13.9
occ:1.00
|
F6
|
B:PFB404
|
0.0
|
13.9
|
1.0
|
C6
|
B:PFB404
|
1.3
|
13.4
|
1.0
|
C1
|
B:PFB404
|
2.3
|
13.1
|
1.0
|
C5
|
B:PFB404
|
2.3
|
14.7
|
1.0
|
F5
|
B:PFB404
|
2.7
|
15.8
|
1.0
|
C7
|
B:PFB404
|
2.8
|
11.4
|
1.0
|
O1
|
B:PFB404
|
3.1
|
13.1
|
1.0
|
CD1
|
B:LEU141
|
3.2
|
14.2
|
1.0
|
CB
|
B:SER48
|
3.2
|
11.8
|
1.0
|
NE2
|
B:HIS67
|
3.2
|
12.0
|
1.0
|
CE1
|
B:HIS67
|
3.3
|
10.6
|
1.0
|
CD2
|
B:HIS67
|
3.4
|
11.5
|
1.0
|
C4
|
B:PFB404
|
3.6
|
15.5
|
1.0
|
C2
|
B:PFB404
|
3.6
|
14.6
|
1.0
|
ND1
|
B:HIS67
|
3.6
|
11.6
|
1.0
|
CG
|
B:HIS67
|
3.7
|
10.7
|
1.0
|
OG
|
B:SER48
|
3.7
|
11.4
|
1.0
|
ZN
|
B:ZN401
|
4.0
|
12.3
|
1.0
|
C3
|
B:PFB404
|
4.1
|
13.1
|
1.0
|
CZ
|
B:PHE140
|
4.1
|
14.7
|
1.0
|
CE2
|
B:PHE140
|
4.3
|
14.5
|
1.0
|
CG
|
B:LEU141
|
4.6
|
13.5
|
1.0
|
CA
|
B:SER48
|
4.6
|
11.4
|
1.0
|
CB
|
B:HIS67
|
4.7
|
11.2
|
1.0
|
F4
|
B:PFB404
|
4.7
|
16.0
|
1.0
|
F2
|
B:PFB404
|
4.7
|
14.0
|
1.0
|
CD1
|
B:PHE93
|
4.7
|
12.0
|
1.0
|
CE1
|
B:PHE93
|
4.8
|
11.5
|
1.0
|
C
|
B:SER48
|
4.8
|
12.7
|
1.0
|
CD1
|
B:LEU57
|
4.9
|
24.2
|
1.0
|
|
Reference:
B.V.Plapp,
L.Gakhar,
R.Subramanian.
Dependence of Crystallographic Atomic Displacement Factors on Temperature (25-150 K) For Complexes of Horse Liver Alcohol Dehydrogenases Acta Crystallogr.,Sect.D V. D78 1221 2022.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798322008361
Page generated: Fri Aug 2 14:08:19 2024
|