Atomistry » Fluorine » PDB 4dbu-4e28 » 4dxh
Atomistry »
  Fluorine »
    PDB 4dbu-4e28 »
      4dxh »

Fluorine in PDB 4dxh: Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol

Enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol:
1.1.1.1;

Protein crystallography data

The structure of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol, PDB code: 4dxh was solved by B.V.Plapp, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.12
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.250, 51.160, 92.530, 91.91, 103.02, 109.90
R / Rfree (%) 12.7 / 14.7

Other elements in 4dxh:

The structure of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol (pdb code 4dxh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol, PDB code: 4dxh:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 4dxh

Go back to Fluorine Binding Sites List in 4dxh
Fluorine binding site 1 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F378

b:16.0
occ:1.00
 F1 A:ETF378 0.0 16.0 1.0
C1 A:ETF378 1.3 12.3 1.0
F3 A:ETF378 2.0 15.9 1.0
F2 A:ETF378 2.2 15.1 1.0
C2 A:ETF378 2.4 9.9 1.0
O A:ETF378 2.9 9.8 1.0
CG2 A:VAL294 3.2 11.4 1.0
C3N A:NAJ377 3.2 7.3 1.0
C2N A:NAJ377 3.3 7.5 1.0
OG A:SER48 3.3 8.6 1.0
C7N A:NAJ377 3.6 7.9 1.0
C4N A:NAJ377 3.7 8.3 1.0
N1N A:NAJ377 3.8 7.3 1.0
O7N A:NAJ377 3.9 8.0 1.0
CB A:SER48 4.2 7.9 1.0
N7N A:NAJ377 4.3 8.0 1.0
C5N A:NAJ377 4.3 7.9 1.0
C6N A:NAJ377 4.4 7.7 1.0
O2D A:NAJ377 4.6 8.4 1.0
CB A:VAL294 4.7 9.6 1.0
C1D A:NAJ377 4.7 8.0 1.0
ZN A:ZN375 4.8 9.1 1.0
CD2 A:LEU116 4.9 17.9 1.0
CE1 A:PHE93 5.0 7.8 1.0

Fluorine binding site 2 out of 6 in 4dxh

Go back to Fluorine Binding Sites List in 4dxh
Fluorine binding site 2 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F378

b:15.1
occ:1.00
 F2 A:ETF378 0.0 15.1 1.0
C1 A:ETF378 1.4 12.3 1.0
F3 A:ETF378 2.1 15.9 1.0
F1 A:ETF378 2.2 16.0 1.0
C2 A:ETF378 2.4 9.9 1.0
CE1 A:PHE93 3.2 7.8 1.0
O A:ETF378 3.6 9.8 1.0
CD2 A:LEU116 3.7 17.9 1.0
CD1 A:PHE93 3.8 8.1 1.0
CZ A:PHE93 3.9 9.0 1.0
CD1 A:LEU116 4.0 16.0 1.0
CD1 A:LEU141 4.1 12.3 1.0
O7N A:NAJ377 4.3 8.0 1.0
CG A:LEU116 4.4 13.1 1.0
CG2 A:ILE318 4.6 9.9 1.0
C7N A:NAJ377 4.7 7.9 1.0
C3N A:NAJ377 4.7 7.3 1.0
OG A:SER48 4.8 8.6 1.0
CG A:PHE93 4.8 7.9 1.0
C4N A:NAJ377 4.9 8.3 1.0
CE2 A:PHE93 4.9 8.8 1.0
CD1 A:ILE318 5.0 13.9 1.0

Fluorine binding site 3 out of 6 in 4dxh

Go back to Fluorine Binding Sites List in 4dxh
Fluorine binding site 3 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F378

b:15.9
occ:1.00
 F3 A:ETF378 0.0 15.9 1.0
C1 A:ETF378 1.3 12.3 1.0
F1 A:ETF378 2.0 16.0 1.0
F2 A:ETF378 2.1 15.1 1.0
C2 A:ETF378 2.4 9.9 1.0
O A:ETF378 2.9 9.8 1.0
OG A:SER48 3.1 8.6 1.0
CB A:SER48 3.2 7.9 1.0
CD1 A:LEU57 3.7 10.8 0.3
CD2 A:LEU57 4.0 13.2 0.7
CG2 A:VAL294 4.2 11.4 1.0
CD1 A:LEU141 4.3 12.3 1.0
CD1 A:LEU116 4.4 16.0 1.0
CA A:SER48 4.6 8.4 1.0
ZN A:ZN375 4.6 9.1 1.0
NE2 A:HIS67 4.7 9.2 1.0
CE1 A:HIS67 5.0 7.9 1.0

Fluorine binding site 4 out of 6 in 4dxh

Go back to Fluorine Binding Sites List in 4dxh
Fluorine binding site 4 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F378

b:19.0
occ:1.00
 F1 B:ETF378 0.0 19.0 1.0
C1 B:ETF378 1.3 15.7 1.0
F3 B:ETF378 2.1 18.4 1.0
F2 B:ETF378 2.2 18.1 1.0
C2 B:ETF378 2.4 13.0 1.0
O B:ETF378 2.9 12.6 1.0
C3N B:NAJ377 3.2 10.1 1.0
C2N B:NAJ377 3.2 10.0 1.0
CG2 B:VAL294 3.3 15.4 1.0
OG B:SER48 3.3 11.5 1.0
C7N B:NAJ377 3.6 10.1 1.0
C4N B:NAJ377 3.7 10.5 1.0
N1N B:NAJ377 3.8 9.9 1.0
O7N B:NAJ377 3.8 10.5 1.0
CB B:SER48 4.2 11.1 1.0
N7N B:NAJ377 4.3 10.7 1.0
C5N B:NAJ377 4.3 10.6 1.0
C6N B:NAJ377 4.3 9.8 1.0
O2D B:NAJ377 4.6 11.0 1.0
C1D B:NAJ377 4.7 10.5 1.0
CB B:VAL294 4.7 13.1 1.0
ZN B:ZN375 4.8 12.1 1.0
CE1 B:PHE93 4.9 11.3 1.0

Fluorine binding site 5 out of 6 in 4dxh

Go back to Fluorine Binding Sites List in 4dxh
Fluorine binding site 5 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F378

b:18.1
occ:1.00
 F2 B:ETF378 0.0 18.1 1.0
C1 B:ETF378 1.3 15.7 1.0
F3 B:ETF378 2.1 18.4 1.0
F1 B:ETF378 2.2 19.0 1.0
C2 B:ETF378 2.3 13.0 1.0
CE1 B:PHE93 3.2 11.3 1.0
O B:ETF378 3.6 12.6 1.0
CD2 B:LEU116 3.8 20.4 1.0
CD1 B:PHE93 3.8 11.2 1.0
CZ B:PHE93 3.9 11.7 1.0
CD1 B:LEU116 4.1 19.3 1.0
CD1 B:LEU141 4.2 16.6 1.0
O7N B:NAJ377 4.3 10.5 1.0
CG2 B:ILE318 4.6 12.1 1.0
CG B:LEU116 4.6 18.3 1.0
C7N B:NAJ377 4.6 10.1 1.0
C3N B:NAJ377 4.7 10.1 1.0
OG B:SER48 4.8 11.5 1.0
CD1 B:ILE318 4.8 15.5 1.0
CG B:PHE93 4.9 10.9 1.0
C4N B:NAJ377 4.9 10.5 1.0
CE2 B:PHE93 4.9 11.5 1.0

Fluorine binding site 6 out of 6 in 4dxh

Go back to Fluorine Binding Sites List in 4dxh
Fluorine binding site 6 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F378

b:18.4
occ:1.00
 F3 B:ETF378 0.0 18.4 1.0
C1 B:ETF378 1.3 15.7 1.0
F1 B:ETF378 2.1 19.0 1.0
F2 B:ETF378 2.1 18.1 1.0
C2 B:ETF378 2.4 13.0 1.0
O B:ETF378 2.9 12.6 1.0
OG B:SER48 3.1 11.5 1.0
CB B:SER48 3.2 11.1 1.0
CD2 B:LEU57 4.1 20.8 1.0
CD1 B:LEU141 4.2 16.6 1.0
CG2 B:VAL294 4.3 15.4 1.0
CD1 B:LEU116 4.5 19.3 1.0
ZN B:ZN375 4.6 12.1 1.0
CA B:SER48 4.6 11.4 1.0
NE2 B:HIS67 4.7 12.8 1.0
CE1 B:PHE93 5.0 11.3 1.0
CE1 B:HIS67 5.0 11.6 1.0

Reference:

B.V.Plapp, S.Ramaswamy. Atomic-Resolution Structures of Horse Liver Alcohol Dehydrogenase with Nad(+) and Fluoroalcohols Define Strained Michaelis Complexes. Biochemistry V. 51 4035 2012.
ISSN: ISSN 0006-2960
PubMed: 22531044
DOI: 10.1021/BI300378N
Page generated: Mon Jul 14 21:19:13 2025

Last articles

Zn in 9UUO
Zn in 9UUS
Zn in 9W4R
Zn in 9VKW
Zn in 9W4S
Zn in 9VH1
Zn in 9RMX
Zn in 9RMU
Zn in 9QWN
Zn in 9U9Y
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy