Atomistry » Fluorine » PDB 7u8w-7ugd » 7udd
Atomistry »
  Fluorine »
    PDB 7u8w-7ugd »
      7udd »

Fluorine in PDB 7udd: Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K

Enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K:
1.1.1.1;

Protein crystallography data

The structure of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K, PDB code: 7udd 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) 19.96 / 1.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.25, 51.14, 92.7, 91.92, 103.06, 109.64
R / Rfree (%) 13.4 / 16

Other elements in 7udd:

The structure of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K 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 at 150 K (pdb code 7udd). 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 at 150 K, PDB code: 7udd:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7udd

Go back to Fluorine Binding Sites List in 7udd
Fluorine binding site 1 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K


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 at 150 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:18.4
occ:1.00
F1 A:ETF404 0.0 18.4 1.0
C1 A:ETF404 1.4 15.4 1.0
F3 A:ETF404 2.0 18.3 1.0
F2 A:ETF404 2.3 17.8 1.0
C2 A:ETF404 2.3 12.5 1.0
O A:ETF404 2.8 10.9 1.0
C3N A:NAJ403 3.2 8.8 1.0
CG2 A:VAL294 3.2 10.8 0.6
C2N A:NAJ403 3.3 8.9 1.0
OG A:SER48 3.3 10.5 1.0
CG2 A:VAL294 3.5 12.6 0.4
C7N A:NAJ403 3.6 9.4 1.0
C4N A:NAJ403 3.7 10.1 1.0
N1N A:NAJ403 3.8 8.9 1.0
O7N A:NAJ403 3.9 9.8 1.0
CB A:SER48 4.2 9.8 1.0
C5N A:NAJ403 4.2 9.9 1.0
N7N A:NAJ403 4.3 9.7 1.0
C6N A:NAJ403 4.3 9.4 1.0
O2D A:NAJ403 4.6 10.3 1.0
C1D A:NAJ403 4.7 9.0 1.0
CB A:VAL294 4.7 11.0 0.6
ZN A:ZN401 4.8 10.9 1.0
CB A:VAL294 4.8 11.9 0.4
CE1 A:PHE93 4.9 10.9 1.0

Fluorine binding site 2 out of 6 in 7udd

Go back to Fluorine Binding Sites List in 7udd
Fluorine binding site 2 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K


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 at 150 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:17.8
occ:1.00
F2 A:ETF404 0.0 17.8 1.0
C1 A:ETF404 1.4 15.4 1.0
F3 A:ETF404 2.1 18.3 1.0
F1 A:ETF404 2.3 18.4 1.0
C2 A:ETF404 2.3 12.5 1.0
CE1 A:PHE93 3.2 10.9 1.0
O A:ETF404 3.6 10.9 1.0
CD1 A:PHE93 3.7 10.2 1.0
CD2 A:LEU116 3.8 20.5 1.0
CZ A:PHE93 3.9 11.4 1.0
CD1 A:LEU116 4.0 19.2 1.0
CD1 A:LEU141 4.1 14.7 1.0
O7N A:NAJ403 4.4 9.8 1.0
CG A:LEU116 4.5 16.4 1.0
CG2 A:ILE318 4.7 11.1 1.0
C7N A:NAJ403 4.7 9.4 1.0
CG A:PHE93 4.8 9.5 1.0
C3N A:NAJ403 4.8 8.8 1.0
OG A:SER48 4.8 10.5 1.0
CE2 A:PHE93 4.9 11.7 1.0
C4N A:NAJ403 4.9 10.1 1.0

Fluorine binding site 3 out of 6 in 7udd

Go back to Fluorine Binding Sites List in 7udd
Fluorine binding site 3 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K


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 at 150 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:18.3
occ:1.00
F3 A:ETF404 0.0 18.3 1.0
C1 A:ETF404 1.3 15.4 1.0
F1 A:ETF404 2.0 18.4 1.0
F2 A:ETF404 2.1 17.8 1.0
C2 A:ETF404 2.3 12.5 1.0
O A:ETF404 2.9 10.9 1.0
OG A:SER48 3.1 10.5 1.0
CB A:SER48 3.2 9.8 1.0
CD1 A:LEU57 3.7 14.5 0.3
CD2 A:LEU57 4.0 14.4 0.7
CG2 A:VAL294 4.1 10.8 0.6
CD1 A:LEU141 4.3 14.7 1.0
CD1 A:LEU116 4.5 19.2 1.0
CG2 A:VAL294 4.6 12.6 0.4
CA A:SER48 4.6 10.2 1.0
ZN A:ZN401 4.6 10.9 1.0
NE2 A:HIS67 4.7 10.9 1.0

Fluorine binding site 4 out of 6 in 7udd

Go back to Fluorine Binding Sites List in 7udd
Fluorine binding site 4 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K


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 at 150 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:22.4
occ:1.00
F1 B:ETF404 0.0 22.4 1.0
C1 B:ETF404 1.4 18.1 1.0
F3 B:ETF404 2.0 21.2 1.0
F2 B:ETF404 2.3 21.4 1.0
C2 B:ETF404 2.4 15.2 1.0
O B:ETF404 2.9 14.1 1.0
CG2 B:VAL294 3.0 14.8 0.5
C3N B:NAJ403 3.2 10.7 1.0
C2N B:NAJ403 3.3 11.4 1.0
OG B:SER48 3.3 13.6 1.0
CG2 B:VAL294 3.6 15.6 0.5
C7N B:NAJ403 3.6 11.4 1.0
C4N B:NAJ403 3.7 12.3 1.0
N1N B:NAJ403 3.8 11.6 1.0
O7N B:NAJ403 3.9 12.3 1.0
CB B:SER48 4.2 12.5 1.0
C5N B:NAJ403 4.2 12.2 1.0
N7N B:NAJ403 4.3 12.4 1.0
C6N B:NAJ403 4.3 11.5 1.0
CB B:VAL294 4.5 13.7 0.5
O2D B:NAJ403 4.6 13.2 1.0
C1D B:NAJ403 4.6 11.3 1.0
ZN B:ZN401 4.8 13.9 1.0
CB B:VAL294 5.0 12.8 0.5
CE1 B:PHE93 5.0 13.3 1.0

Fluorine binding site 5 out of 6 in 7udd

Go back to Fluorine Binding Sites List in 7udd
Fluorine binding site 5 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K


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 at 150 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:21.4
occ:1.00
F2 B:ETF404 0.0 21.4 1.0
C1 B:ETF404 1.4 18.1 1.0
F3 B:ETF404 2.1 21.2 1.0
F1 B:ETF404 2.3 22.4 1.0
C2 B:ETF404 2.3 15.2 1.0
CE1 B:PHE93 3.2 13.3 1.0
O B:ETF404 3.6 14.1 1.0
CD1 B:PHE93 3.8 12.3 1.0
CD2 B:LEU116 3.8 22.1 1.0
CZ B:PHE93 4.0 14.2 1.0
CD1 B:LEU141 4.1 17.9 1.0
CD1 B:LEU116 4.2 23.5 1.0
O7N B:NAJ403 4.4 12.3 1.0
CG2 B:ILE318 4.6 14.1 1.0
CG B:LEU116 4.6 20.7 1.0
C7N B:NAJ403 4.7 11.4 1.0
C3N B:NAJ403 4.8 10.7 1.0
CG B:PHE93 4.8 12.7 1.0
OG B:SER48 4.8 13.6 1.0
CD1 B:ILE318 4.9 17.9 1.0
CG2 B:VAL294 4.9 14.8 0.5
CE2 B:PHE93 4.9 13.7 1.0
C4N B:NAJ403 4.9 12.3 1.0

Fluorine binding site 6 out of 6 in 7udd

Go back to Fluorine Binding Sites List in 7udd
Fluorine binding site 6 out of 6 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 2,2,2- Trifluoroethanol at 150 K


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 at 150 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:21.2
occ:1.00
F3 B:ETF404 0.0 21.2 1.0
C1 B:ETF404 1.3 18.1 1.0
F1 B:ETF404 2.0 22.4 1.0
F2 B:ETF404 2.1 21.4 1.0
C2 B:ETF404 2.4 15.2 1.0
O B:ETF404 2.9 14.1 1.0
OG B:SER48 3.1 13.6 1.0
CB B:SER48 3.2 12.5 1.0
CG2 B:VAL294 4.0 14.8 0.5
CD2 B:LEU57 4.1 24.3 1.0
CD1 B:LEU141 4.3 17.9 1.0
CG2 B:VAL294 4.6 15.6 0.5
CA B:SER48 4.6 13.3 1.0
CD1 B:LEU116 4.6 23.5 1.0
ZN B:ZN401 4.6 13.9 1.0
NE2 B:HIS67 4.7 14.3 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: Wed Jul 16 00:56:49 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy