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Zinc in PDB 1a71: Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol

Enzymatic activity of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol

All present enzymatic activity of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol:
1.1.1.1;

Protein crystallography data

The structure of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol, PDB code: 1a71 was solved by T.D.Colby, B.J.Bahnson, J.K.Chin, J.P.Klinman, B.M.Goldstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 50.600, 44.100, 92.600, 103.00, 87.90, 70.70
R / Rfree (%) 19.9 / 28.8

Other elements in 1a71:

The structure of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol (pdb code 1a71). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol, PDB code: 1a71:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1a71

Go back to Zinc Binding Sites List in 1a71
Zinc binding site 1 out of 4 in the Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:24.3
occ:1.00
NE2 A:HIS67 2.1 19.7 1.0
O A:ETF404 2.1 17.9 1.0
SG A:CYS174 2.3 16.2 1.0
SG A:CYS46 2.5 18.8 1.0
CE1 A:HIS67 3.0 18.5 1.0
C2 A:ETF404 3.0 20.9 1.0
CD2 A:HIS67 3.2 14.5 1.0
CB A:CYS46 3.3 19.3 1.0
CB A:CYS174 3.5 16.6 1.0
C5N A:NAD403 3.7 8.3 1.0
OG A:SER48 3.7 19.2 1.0
CB A:SER48 3.9 18.8 1.0
ND1 A:HIS67 4.2 17.2 1.0
C4N A:NAD403 4.2 12.2 1.0
O A:HOH500 4.3 19.4 1.0
C6N A:NAD403 4.3 12.5 1.0
C1 A:ETF404 4.3 24.7 1.0
CG A:HIS67 4.3 16.5 1.0
F3 A:ETF404 4.5 28.7 1.0
F1 A:ETF404 4.7 29.0 1.0
CA A:CYS46 4.8 17.3 1.0
CA A:CYS174 4.9 15.9 1.0
N A:GLY175 4.9 15.9 1.0
N A:SER48 4.9 18.1 1.0
NH2 A:ARG369 5.0 21.2 1.0
NE1 A:TRP93 5.0 19.3 1.0

Zinc binding site 2 out of 4 in 1a71

Go back to Zinc Binding Sites List in 1a71
Zinc binding site 2 out of 4 in the Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:22.4
occ:1.00
SG A:CYS111 2.2 15.6 1.0
SG A:CYS103 2.2 18.7 1.0
SG A:CYS100 2.2 21.7 1.0
SG A:CYS97 2.3 23.1 1.0
CB A:CYS111 3.4 13.6 1.0
CB A:CYS103 3.4 20.9 1.0
CB A:CYS100 3.5 17.6 1.0
CB A:CYS97 3.5 16.9 1.0
N A:CYS97 3.6 17.1 1.0
CA A:CYS111 3.8 16.4 1.0
N A:CYS100 3.9 19.5 1.0
N A:GLY98 4.0 21.4 1.0
CA A:CYS97 4.0 19.0 1.0
N A:LEU112 4.1 17.4 1.0
CA A:CYS100 4.2 17.1 1.0
N A:CYS103 4.2 18.2 1.0
C A:CYS97 4.3 21.7 1.0
CA A:CYS103 4.4 19.4 1.0
C A:CYS111 4.4 14.3 1.0
C A:GLN96 4.6 17.5 1.0
N A:LYS99 4.6 20.2 1.0
CA A:GLN96 4.8 16.8 1.0
C A:CYS100 4.8 18.1 1.0
O A:CYS100 4.8 19.7 1.0
CG A:LYS113 4.9 20.0 1.0
N A:LYS113 4.9 16.1 1.0
CA A:GLY98 4.9 19.2 1.0

Zinc binding site 3 out of 4 in 1a71

Go back to Zinc Binding Sites List in 1a71
Zinc binding site 3 out of 4 in the Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:25.1
occ:1.00
O B:ETF404 2.0 25.4 1.0
SG B:CYS174 2.1 23.1 1.0
NE2 B:HIS67 2.1 23.5 1.0
SG B:CYS46 2.4 27.1 1.0
CE1 B:HIS67 3.0 21.1 1.0
C2 B:ETF404 3.1 25.2 1.0
CD2 B:HIS67 3.2 22.1 1.0
C5N B:NAD403 3.4 16.9 1.0
CB B:CYS174 3.4 22.9 1.0
CB B:CYS46 3.5 19.0 1.0
OG B:SER48 3.8 12.7 1.0
F2 B:ETF404 4.0 32.1 1.0
C6N B:NAD403 4.0 16.7 1.0
CB B:SER48 4.0 15.1 1.0
C4N B:NAD403 4.1 19.2 1.0
C1 B:ETF404 4.1 27.6 1.0
ND1 B:HIS67 4.2 20.6 1.0
O B:HOH472 4.3 15.3 1.0
CG B:HIS67 4.3 19.0 1.0
F3 B:ETF404 4.7 28.5 1.0
CA B:CYS174 4.7 22.2 1.0
N B:GLY175 4.8 18.9 1.0
CZ2 B:TRP93 4.8 21.6 1.0
NE1 B:TRP93 4.9 18.6 1.0
CE2 B:TRP93 4.9 20.2 1.0
CA B:CYS46 4.9 23.7 1.0
NH2 B:ARG369 5.0 21.5 1.0
N B:SER48 5.0 18.4 1.0

Zinc binding site 4 out of 4 in 1a71

Go back to Zinc Binding Sites List in 1a71
Zinc binding site 4 out of 4 in the Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:21.6
occ:1.00
SG B:CYS103 2.1 17.3 1.0
SG B:CYS97 2.2 25.3 1.0
SG B:CYS111 2.3 22.4 1.0
SG B:CYS100 2.3 24.1 1.0
CB B:CYS103 3.4 18.9 1.0
CB B:CYS111 3.4 18.5 1.0
CB B:CYS97 3.5 24.1 1.0
CB B:CYS100 3.5 20.4 1.0
N B:CYS97 3.6 21.5 1.0
N B:GLY98 3.8 20.4 1.0
N B:CYS100 3.9 22.4 1.0
CA B:CYS111 3.9 17.1 1.0
CA B:CYS97 4.0 21.8 1.0
N B:LEU112 4.0 21.2 1.0
N B:CYS103 4.2 19.0 1.0
CA B:CYS100 4.3 21.9 1.0
C B:CYS97 4.3 20.6 1.0
C B:CYS111 4.4 18.3 1.0
CA B:CYS103 4.4 19.4 1.0
N B:LYS99 4.4 21.8 1.0
C B:GLN96 4.5 20.5 1.0
CA B:GLN96 4.7 18.6 1.0
CA B:GLY98 4.8 19.4 1.0
N B:LYS113 4.8 23.7 1.0
O B:CYS100 4.9 19.0 1.0
CG B:LYS113 4.9 24.8 1.0
C B:CYS100 4.9 21.3 1.0
CA B:LEU112 5.0 20.1 1.0

Reference:

T.D.Colby, B.J.Bahnson, J.K.Chin, J.P.Klinman, B.M.Goldstein. Active Site Modifications in A Double Mutant of Liver Alcohol Dehydrogenase: Structural Studies of Two Enzyme-Ligand Complexes. Biochemistry V. 37 9295 1998.
ISSN: ISSN 0006-2960
PubMed: 9649310
DOI: 10.1021/BI973184B
Page generated: Wed Dec 16 02:44:26 2020

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