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 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy