Fluorine in the structure of Yeast Alcohol Dehydrogenase I, Saccharomyces Cerevisiae Fermentative Enzyme (pdb 2hcy)

The binding sites of Fluorine atom in the structure of Yeast Alcohol Dehydrogenase I, Saccharomyces Cerevisiae Fermentative Enzyme (pdb code 2hcy). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 2hcy structure was solved by B.V.PLAPP, B.R.SAVARIMUTHU, S.RAMASWAMY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)10.0-2.4
Space groupP321
a (A)144.338
b (A)144.338
c (A)128.204
alpha (°)90.00
beta (°)90.00
gamma (°)120.00
Rfactor (%)23.4
Rfree (%)29.2

Fluorine Binding Sites:

Fluorine binding site 1 out of 12 in 2hcy


Fluorine binding site 1 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 1 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Thr45, A: Trp54, A: Trp92, A: Met270, A: Tyr294, A: Val295, A: 8id350, A: Etf351,

conact list:


AtomAtomDistance (A)
FCG2 A:Thr454.73
FOG1 A:Thr454.38
FCZ3 A:Trp544.61
FCH2 A:Trp544.60
FCB A:Trp924.75
FCD1 A:Trp923.10
FCD2 A:Trp923.59
FCE3 A:Trp924.56
FCG A:Trp923.64
FCZ3 A:Trp924.95
FCZ2 A:Trp923.61
FCE2 A:Trp923.00
FNE1 A:Trp922.67
FCH2 A:Trp924.53
FCE A:Met2704.26
FCD1 A:Tyr2944.16
FCZ A:Tyr2944.16
FCE1 A:Tyr2943.35
FOH A:Tyr2944.13
FCG1 A:Val2954.13
FO7N A:8id3504.45
FC7N A:8id3504.51
FC3N A:8id3504.57
FC4N A:8id3504.74
FO A:Etf3513.53
FC1 A:Etf3511.32
FF2 A:Etf3512.17
FF3 A:Etf3512.15
FF1 A:Etf3510.00
FC2 A:Etf3512.30

interactive model:


Fluorine binding site 2 out of 12 in 2hcy


Fluorine binding site 2 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 2 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Thr45, A: Trp54, A: His66, A: Trp92, A: Met270, A: Zn348, A: 8id350, A: Etf351,

conact list:


AtomAtomDistance (A)
FCB A:Thr453.27
FCG2 A:Thr453.02
FOG1 A:Thr452.41
FCA A:Thr454.37
FCE3 A:Trp544.81
FCZ3 A:Trp543.43
FCZ2 A:Trp544.09
FCH2 A:Trp542.96
FNE2 A:His665.00
FCD1 A:Trp924.84
FCD2 A:Trp924.37
FCE3 A:Trp924.75
FCG A:Trp924.90
FCZ3 A:Trp924.76
FCZ2 A:Trp924.05
FCE2 A:Trp924.00
FNE1 A:Trp924.34
FCH2 A:Trp924.42
FCE A:Met2704.05
FZN A:Zn3484.47
FC2N A:8id3504.47
FN1N A:8id3504.59
FC6N A:8id3504.77
FC3N A:8id3504.52
FC5N A:8id3504.81
FC4N A:8id3504.69
FO2' A:8id3504.06
FO A:Etf3512.77
FC1 A:Etf3511.32
FF2 A:Etf3510.00
FF3 A:Etf3512.12
FF1 A:Etf3512.17
FC2 A:Etf3512.34

interactive model:


Fluorine binding site 3 out of 12 in 2hcy


Fluorine binding site 3 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 3 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Thr45, A: Trp54, A: Trp92, A: Met270, A: Tyr294, A: Val295, A: Zn348, A: 8id350, A: Etf351,

conact list:


AtomAtomDistance (A)
FCB A:Thr454.66
FCG2 A:Thr454.85
FOG1 A:Thr453.41
FCH2 A:Trp544.63
FCD1 A:Trp924.86
FCE2 A:Trp924.98
FNE1 A:Trp924.75
FCE A:Met2703.54
FCD1 A:Tyr2944.90
FCE1 A:Tyr2944.63
FCG1 A:Val2954.24
FZN A:Zn3484.47
FN7N A:8id3503.69
FO7N A:8id3503.36
FC7N A:8id3502.98
FC2N A:8id3502.95
FN1N A:8id3503.53
FC6N A:8id3503.79
FC3N A:8id3502.58
FC5N A:8id3503.51
FC4N A:8id3502.90
FC1' A:8id3504.54
FO2' A:8id3504.52
FO A:Etf3512.73
FC1 A:Etf3511.31
FF2 A:Etf3512.12
FF3 A:Etf3510.00
FF1 A:Etf3512.15
FC2 A:Etf3512.31

interactive model:


Fluorine binding site 4 out of 12 in 2hcy


Fluorine binding site 4 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 4 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Thr45, B: Trp54, B: His66, B: Trp92, B: Met270, B: Tyr294, B: Etf351,

conact list:


AtomAtomDistance (A)
FCB B:Thr453.63
FCG2 B:Thr453.59
FOG1 B:Thr452.65
FCA B:Thr454.93
FCH2 B:Trp544.67
FNE2 B:His664.80
FCD1 B:Trp924.55
FCD2 B:Trp924.19
FCE3 B:Trp924.59
FCG B:Trp924.45
FCZ3 B:Trp924.91
FCZ2 B:Trp924.55
FCE2 B:Trp924.16
FNE1 B:Trp924.39
FCH2 B:Trp924.89
FCB B:Met2704.72
FCE B:Met2704.69
FCG B:Met2703.91
FSD B:Met2703.03
FCE1 B:Tyr2944.98
FO B:Etf3512.58
FC1 B:Etf3511.33
FF2 B:Etf3512.17
FF3 B:Etf3512.18
FF1 B:Etf3510.00
FC2 B:Etf3512.32

interactive model:


Fluorine binding site 5 out of 12 in 2hcy


Fluorine binding site 5 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 5 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Thr45, B: Cys153, B: Thr157, B: Met270, B: Val295, B: Etf351,

conact list:


AtomAtomDistance (A)
FCB B:Thr454.81
FOG1 B:Thr453.63
FSG B:Cys1534.04
FOG1 B:Thr1574.78
FCB B:Met2704.96
FCG B:Met2704.18
FSD B:Met2704.22
FCG1 B:Val2954.88
FO B:Etf3512.96
FC1 B:Etf3511.32
FF2 B:Etf3510.00
FF3 B:Etf3512.13
FF1 B:Etf3512.17
FC2 B:Etf3512.33

interactive model:


Fluorine binding site 6 out of 12 in 2hcy


Fluorine binding site 6 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 6 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Thr45, B: Trp92, B: Met270, B: Tyr294, B: Val295, B: Etf351,

conact list:


AtomAtomDistance (A)
FOG1 B:Thr454.70
FCB B:Trp925.00
FCD1 B:Trp923.99
FCD2 B:Trp924.74
FCG B:Trp924.39
FCE2 B:Trp924.59
FNE1 B:Trp924.13
FCE B:Met2705.00
FCG B:Met2703.76
FSD B:Met2703.35
FCD1 B:Tyr2943.88
FCZ B:Tyr2944.26
FCE1 B:Tyr2943.36
FOH B:Tyr2944.51
FCB B:Val2954.90
FCG1 B:Val2953.48
FO B:Etf3513.53
FC1 B:Etf3511.32
FF2 B:Etf3512.13
FF3 B:Etf3510.00
FF1 B:Etf3512.18
FC2 B:Etf3512.33

interactive model:


Fluorine binding site 7 out of 12 in 2hcy


Fluorine binding site 7 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 7 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: C: Thr45, C: Trp54, C: Trp92, C: Met270, C: Tyr294, C: Val295, C: Zn348, C: 8id350, C: Etf351,

conact list:


AtomAtomDistance (A)
FCB C:Thr454.61
FCG2 C:Thr454.65
FOG1 C:Thr453.41
FCZ3 C:Trp544.87
FCH2 C:Trp544.23
FCE2 C:Trp924.99
FNE1 C:Trp924.99
FCE C:Met2703.19
FSD C:Met2704.70
FCE1 C:Tyr2944.58
FCG1 C:Val2954.53
FZN C:Zn3484.64
FN7N C:8id3503.84
FO7N C:8id3503.50
FC7N C:8id3503.17
FC2N C:8id3502.94
FN1N C:8id3503.52
FC6N C:8id3503.94
FC3N C:8id3502.81
FC5N C:8id3503.84
FC4N C:8id3503.30
FC1' C:8id3504.41
FC2' C:8id3504.92
FO2' C:8id3504.51
FO C:Etf3513.00
FC1 C:Etf3511.32
FF2 C:Etf3512.14
FF3 C:Etf3512.12
FF1 C:Etf3510.00
FC2 C:Etf3512.36

interactive model:


Fluorine binding site 8 out of 12 in 2hcy


Fluorine binding site 8 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 8 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: C: Thr45, C: Trp92, C: Met270, C: Tyr294, C: Val295, C: 8id350, C: Etf351,

conact list:


AtomAtomDistance (A)
FOG1 C:Thr454.70
FCB C:Trp924.42
FCD1 C:Trp923.09
FCD2 C:Trp923.49
FCE3 C:Trp924.41
FCG C:Trp923.45
FCZ3 C:Trp924.91
FCZ2 C:Trp923.87
FCE2 C:Trp923.16
FNE1 C:Trp922.89
FCH2 C:Trp924.68
FCE C:Met2704.60
FCD1 C:Tyr2944.05
FCZ C:Tyr2944.06
FCE1 C:Tyr2943.32
FOH C:Tyr2944.10
FCB C:Val2954.87
FCG1 C:Val2953.45
FN7N C:8id3504.96
FO7N C:8id3503.92
FC7N C:8id3504.22
FC2N C:8id3504.92
FC3N C:8id3504.37
FC4N C:8id3504.58
FO C:Etf3513.52
FC1 C:Etf3511.31
FF2 C:Etf3510.00
FF3 C:Etf3512.19
FF1 C:Etf3512.14
FC2 C:Etf3512.23

interactive model:


Fluorine binding site 9 out of 12 in 2hcy


Fluorine binding site 9 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 9 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: C: Thr45, C: Trp54, C: Trp92, C: Met270, C: Tyr294, C: Zn348, C: 8id350, C: Etf351,

conact list:


AtomAtomDistance (A)
FCB C:Thr453.65
FCG2 C:Thr453.05
FOG1 C:Thr453.03
FCA C:Thr454.82
FCE3 C:Trp544.67
FCZ3 C:Trp543.35
FCZ2 C:Trp544.38
FCH2 C:Trp543.16
FCD1 C:Trp924.57
FCD2 C:Trp923.78
FCE3 C:Trp924.01
FCG C:Trp924.43
FCZ3 C:Trp924.02
FCZ2 C:Trp923.61
FCE2 C:Trp923.56
FNE1 C:Trp924.08
FCH2 C:Trp923.83
FCE C:Met2704.01
FCE1 C:Tyr2944.95
FZN C:Zn3484.72
FC2N C:8id3504.86
FC3N C:8id3504.89
FO2' C:8id3504.82
FO C:Etf3512.83
FC1 C:Etf3511.33
FF2 C:Etf3512.19
FF3 C:Etf3510.00
FF1 C:Etf3512.12
FC2 C:Etf3512.39

interactive model:


Fluorine binding site 10 out of 12 in 2hcy


Fluorine binding site 10 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 10 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: D: Trp92, D: Cys153, D: Thr157, D: Met270, D: Tyr294, D: Val295, D: Etf351, D: Hoh423,

conact list:


AtomAtomDistance (A)
FCD1 D:Trp924.38
FCG D:Trp924.68
FNE1 D:Trp924.78
FSG D:Cys1534.77
FOG1 D:Thr1574.49
FCE D:Met2704.93
FCD1 D:Tyr2944.32
FCZ D:Tyr2944.53
FCE1 D:Tyr2943.91
FOH D:Tyr2944.78
FN D:Val2954.65
FCB D:Val2954.49
FCG1 D:Val2953.09
FCA D:Val2954.82
FO D:Etf3513.53
FC1 D:Etf3511.32
FF2 D:Etf3512.16
FF3 D:Etf3512.14
FF1 D:Etf3510.00
FC2 D:Etf3512.34
FO D:Hoh4234.51

interactive model:


Fluorine binding site 11 out of 12 in 2hcy


Fluorine binding site 11 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 11 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: D: Thr45, D: Trp54, D: Trp92, D: Tyr294, D: Val295, D: Etf351,

conact list:


AtomAtomDistance (A)
FCB D:Thr454.20
FCG2 D:Thr453.76
FOG1 D:Thr453.42
FCH2 D:Trp544.66
FCB D:Trp924.79
FCD1 D:Trp924.15
FCD2 D:Trp924.09
FCE3 D:Trp924.66
FCG D:Trp924.13
FCZ2 D:Trp924.67
FCE2 D:Trp924.10
FNE1 D:Trp924.14
FCZ D:Tyr2944.87
FCE1 D:Tyr2944.55
FOH D:Tyr2944.50
FCG1 D:Val2954.56
FO D:Etf3512.92
FC1 D:Etf3511.33
FF2 D:Etf3510.00
FF3 D:Etf3512.21
FF1 D:Etf3512.16
FC2 D:Etf3512.30

interactive model:


Fluorine binding site 12 out of 12 in 2hcy


Fluorine binding site 12 out of 12 in 2hcy
Click to enlarge
stereopicture of Fluorine binding site 12 out of 12 in 2hcy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Fluorine in the PDB 2hcy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: D: Thr45, D: Cys153, D: Met270, D: Etf351, D: Hoh423,

conact list:


AtomAtomDistance (A)
FCB D:Thr454.66
FCG2 D:Thr454.93
FOG1 D:Thr453.39
FSG D:Cys1534.13
FCE D:Met2704.66
FO D:Etf3512.59
FC1 D:Etf3511.33
FF2 D:Etf3512.21
FF3 D:Etf3510.00
FF1 D:Etf3512.14
FC2 D:Etf3512.31
FO D:Hoh4233.24

interactive model:




Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy