Atomistry » Fluorine » PDB 1q6n-1rrx » 1qv6
Atomistry »
  Fluorine »
    PDB 1q6n-1rrx »
      1qv6 »

Fluorine in PDB 1qv6: Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol

Enzymatic activity of Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol:
1.1.1.1;

Protein crystallography data

The structure of Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol, PDB code: 1qv6 was solved by L.A.Lebrun, D.-H.Park, S.Ramaswamy, B.V.Plapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.255, 51.115, 92.722, 91.61, 103.05, 109.90
R / Rfree (%) 15.7 / 20.3

Other elements in 1qv6:

The structure of Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol 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 HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol (pdb code 1qv6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol, PDB code: 1qv6:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 1qv6

Go back to Fluorine Binding Sites List in 1qv6
Fluorine binding site 1 out of 4 in the Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol


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 HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F378

b:21.8
occ:1.00
 F2 A:24B378 0.0 21.8 1.0
C2 A:24B378 1.3 16.4 1.0
C3 A:24B378 2.3 17.9 1.0
C1 A:24B378 2.4 16.5 1.0
C7 A:24B378 2.8 15.8 1.0
CD2 A:LEU57 3.3 21.3 1.0
CB A:SER48 3.4 16.0 1.0
O1 A:24B378 3.5 16.1 1.0
OG A:SER48 3.5 17.8 1.0
C4 A:24B378 3.6 17.8 1.0
CD1 A:LEU141 3.6 16.1 1.0
C6 A:24B378 3.6 19.5 1.0
CZ A:PHE140 3.9 16.1 1.0
C5 A:24B378 4.1 15.9 1.0
CE2 A:PHE140 4.6 16.7 1.0
CG A:LEU57 4.6 21.2 1.0
CG A:LEU141 4.7 14.8 1.0
F4 A:24B378 4.7 18.3 1.0
CA A:SER48 4.7 16.2 1.0
CE1 A:PHE140 4.7 14.1 1.0
NE2 A:HIS67 4.8 18.1 1.0
CD1 A:LEU57 4.8 22.3 1.0
CE1 A:HIS67 4.9 15.6 1.0
CD2 A:LEU141 4.9 15.7 1.0
CD1 A:LEU116 5.0 23.9 1.0

Fluorine binding site 2 out of 4 in 1qv6

Go back to Fluorine Binding Sites List in 1qv6
Fluorine binding site 2 out of 4 in the Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol


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 HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F378

b:18.3
occ:1.00
 F4 A:24B378 0.0 18.3 1.0
C4 A:24B378 1.3 17.8 1.0
C3 A:24B378 2.3 17.9 1.0
C5 A:24B378 2.3 15.9 1.0
CD2 A:LEU116 3.3 23.6 1.0
O A:HOH872 3.5 28.5 1.0
CD2 B:LEU309 3.5 21.6 1.0
CD1 A:LEU116 3.5 23.9 1.0
C2 A:24B378 3.6 16.4 1.0
C6 A:24B378 3.6 19.5 1.0
CG2 A:VAL294 3.6 13.5 1.0
CG A:LEU116 4.0 22.9 1.0
CG1 A:VAL294 4.1 15.9 1.0
C1 A:24B378 4.1 16.5 1.0
CD1 A:ILE318 4.2 10.5 1.0
CE B:MET306 4.3 27.9 1.0
CB A:VAL294 4.5 13.3 1.0
SD B:MET306 4.5 32.7 1.0
F2 A:24B378 4.7 21.8 1.0
CG B:LEU309 4.9 16.9 1.0

Fluorine binding site 3 out of 4 in 1qv6

Go back to Fluorine Binding Sites List in 1qv6
Fluorine binding site 3 out of 4 in the Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol


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 HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F378

b:24.1
occ:1.00
 F2 B:24B378 0.0 24.1 1.0
C2 B:24B378 1.3 22.7 1.0
C3 B:24B378 2.4 20.0 1.0
C1 B:24B378 2.4 20.4 1.0
C7 B:24B378 2.9 17.9 1.0
CB B:SER48 3.3 21.1 1.0
OG B:SER48 3.3 21.0 1.0
CD2 B:LEU57 3.4 24.7 1.0
CD1 B:LEU141 3.4 22.1 1.0
O1 B:24B378 3.6 18.6 1.0
C4 B:24B378 3.6 22.1 1.0
C6 B:24B378 3.7 20.3 1.0
CZ B:PHE140 3.9 18.6 1.0
C5 B:24B378 4.1 18.1 1.0
CE2 B:PHE140 4.6 20.6 1.0
CA B:SER48 4.6 20.2 1.0
CG B:LEU141 4.6 19.3 1.0
NE2 B:HIS67 4.7 19.4 1.0
CG B:LEU57 4.7 25.4 1.0
CD1 B:LEU116 4.7 26.5 1.0
CE1 B:HIS67 4.7 20.4 1.0
F4 B:24B378 4.8 21.9 1.0
CE1 B:PHE140 4.8 18.8 1.0
CD2 B:LEU141 4.9 23.1 1.0
C B:SER48 5.0 19.8 1.0
O B:SER48 5.0 19.7 1.0

Fluorine binding site 4 out of 4 in 1qv6

Go back to Fluorine Binding Sites List in 1qv6
Fluorine binding site 4 out of 4 in the Horse Liver Alcohol Dehydrogenase HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol


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 HIS51GLN/LYS228ARG Mutant Complexed with Nad+ and 2,4-Difluorobenzyl Alcohol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F378

b:21.9
occ:1.00
 F4 B:24B378 0.0 21.9 1.0
C4 B:24B378 1.3 22.1 1.0
C5 B:24B378 2.3 18.1 1.0
C3 B:24B378 2.4 20.0 1.0
CD2 B:LEU116 3.3 28.9 1.0
CD2 A:LEU309 3.5 20.3 1.0
CG2 B:VAL294 3.6 18.7 1.0
C6 B:24B378 3.6 20.3 1.0
C2 B:24B378 3.6 22.7 1.0
CD1 B:LEU116 3.6 26.5 1.0
O B:HOH620 3.8 34.7 1.0
CD1 B:ILE318 3.9 16.3 1.0
CG B:LEU116 4.0 23.9 1.0
C1 B:24B378 4.1 20.4 1.0
CG1 B:VAL294 4.3 19.2 1.0
SD A:MET306 4.5 33.6 1.0
CE A:MET306 4.5 31.2 1.0
CB B:VAL294 4.5 17.4 1.0
CG A:LEU309 4.8 16.8 1.0
F2 B:24B378 4.8 24.1 1.0

Reference:

L.A.Lebrun, D.-H.Park, S.Ramaswamy, B.V.Plapp. Participation of Histidine-51 in Catalysis By Horse Liver Alcohol Dehydrogenase. Biochemistry V. 43 3014 2004.
ISSN: ISSN 0006-2960
PubMed: 15023053
DOI: 10.1021/BI036103M
Page generated: Wed Jul 31 12:32:11 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy