Phosphorus 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

Phosphorus Binding Sites:

The binding sites of Phosphorus 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 Phosphorus atom.
In total 4 binding sites of Phosphorus 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 Phosphorus binding site number: 1; 2; 3; 4;

Phosphorus binding site 1 out of 4 in 1a71

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Phosphorus 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 Phosphorus with other atoms in the P 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:P403

b:18.4
occ:1.00
 PA A:NAD403 0.0 18.4 1.0
O2A A:NAD403 1.5 16.2 1.0
O1A A:NAD403 1.5 17.5 1.0
O3 A:NAD403 1.6 17.4 1.0
O5B A:NAD403 1.6 19.1 1.0
C5B A:NAD403 2.7 17.5 1.0
PN A:NAD403 3.0 18.9 1.0
O2N A:NAD403 3.6 15.1 1.0
O A:HOH503 3.6 20.5 1.0
O1N A:NAD403 3.7 21.8 1.0
C4B A:NAD403 3.7 14.2 1.0
O A:HOH502 3.7 11.8 1.0
O5D A:NAD403 4.0 18.9 1.0
C5D A:NAD403 4.0 14.9 1.0
C3B A:NAD403 4.1 17.1 1.0
O A:HOH506 4.1 41.3 1.0
NE A:ARG47 4.2 12.3 1.0
CA A:GLY201 4.2 17.6 1.0
O A:HOH505 4.3 38.3 1.0
CB A:ARG47 4.3 10.9 1.0
O A:HOH501 4.5 9.9 1.0
CG A:ARG47 4.6 9.3 1.0
CD1 A:LEU362 4.7 22.5 1.0
NH2 A:ARG47 4.7 20.7 1.0
O3B A:NAD403 4.8 18.6 1.0
N A:GLY201 4.9 20.8 1.0
N A:GLY202 4.9 14.1 1.0
O4B A:NAD403 5.0 16.6 1.0
CZ A:ARG47 5.0 16.4 1.0

Phosphorus binding site 2 out of 4 in 1a71

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Phosphorus 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 Phosphorus with other atoms in the P 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:P403

b:18.9
occ:1.00
 PN A:NAD403 0.0 18.9 1.0
O2N A:NAD403 1.5 15.1 1.0
O1N A:NAD403 1.5 21.8 1.0
O5D A:NAD403 1.6 18.9 1.0
O3 A:NAD403 1.6 17.4 1.0
C5D A:NAD403 2.6 14.9 1.0
PA A:NAD403 3.0 18.4 1.0
O1A A:NAD403 3.3 17.5 1.0
O5B A:NAD403 3.6 19.1 1.0
O A:HOH502 3.7 11.8 1.0
O A:HOH500 3.9 19.4 1.0
C4D A:NAD403 3.9 17.1 1.0
O A:HOH501 3.9 9.9 1.0
CB A:ARG47 4.0 10.9 1.0
N A:ALA203 4.0 17.4 1.0
O2A A:NAD403 4.1 16.2 1.0
CB A:ALA203 4.2 15.0 1.0
N A:GLY202 4.2 14.1 1.0
NH1 A:ARG369 4.4 22.2 1.0
O4D A:NAD403 4.4 15.3 1.0
C3D A:NAD403 4.4 17.0 1.0
C5B A:NAD403 4.5 17.5 1.0
C A:GLY201 4.7 14.1 1.0
C2D A:NAD403 4.7 16.4 1.0
CA A:GLY201 4.7 17.6 1.0
CA A:ALA203 4.7 16.4 1.0
N A:ARG47 4.7 18.1 1.0
CA A:GLY202 4.8 15.7 1.0
CG A:ARG47 4.9 9.3 1.0
C A:GLY202 4.9 16.9 1.0
C6N A:NAD403 4.9 12.5 1.0

Phosphorus binding site 3 out of 4 in 1a71

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Phosphorus 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 Phosphorus with other atoms in the P 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:P403

b:21.8
occ:1.00
 PA B:NAD403 0.0 21.8 1.0
O2A B:NAD403 1.5 23.4 1.0
O1A B:NAD403 1.5 19.9 1.0
O3 B:NAD403 1.6 21.2 1.0
O5B B:NAD403 1.6 25.2 1.0
C5B B:NAD403 2.6 21.3 1.0
PN B:NAD403 3.0 19.3 1.0
O2N B:NAD403 3.4 21.8 1.0
C4B B:NAD403 3.8 16.3 1.0
O1N B:NAD403 3.9 23.6 1.0
O5D B:NAD403 3.9 16.4 1.0
O B:HOH477 4.0 23.9 1.0
C3B B:NAD403 4.1 18.2 1.0
CA B:GLY201 4.1 19.9 1.0
CB B:ARG47 4.2 25.7 1.0
NE B:ARG47 4.2 29.6 1.0
C5D B:NAD403 4.3 19.5 1.0
CD1 B:LEU362 4.3 20.9 1.0
O B:HOH478 4.5 17.4 1.0
CG B:ARG47 4.5 25.1 1.0
O3B B:NAD403 4.7 20.6 1.0
N B:GLY202 4.7 17.6 1.0
NH2 B:ARG47 4.8 28.3 1.0
N B:GLY201 4.8 20.9 1.0
C B:GLY201 4.9 20.0 1.0
CZ B:ARG47 5.0 27.5 1.0
CD B:ARG47 5.0 25.9 1.0

Phosphorus binding site 4 out of 4 in 1a71

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Phosphorus 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 Phosphorus with other atoms in the P 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:P403

b:19.3
occ:1.00
 PN B:NAD403 0.0 19.3 1.0
O1N B:NAD403 1.5 23.6 1.0
O2N B:NAD403 1.5 21.8 1.0
O3 B:NAD403 1.6 21.2 1.0
O5D B:NAD403 1.6 16.4 1.0
C5D B:NAD403 2.7 19.5 1.0
PA B:NAD403 3.0 21.8 1.0
O5B B:NAD403 3.4 25.2 1.0
O2A B:NAD403 3.5 23.4 1.0
O B:HOH472 3.7 15.3 1.0
CB B:ARG47 3.8 25.7 1.0
O B:HOH478 3.9 17.4 1.0
C4D B:NAD403 4.0 20.3 1.0
N B:ALA203 4.0 16.4 1.0
O1A B:NAD403 4.1 19.9 1.0
CB B:ALA203 4.1 14.1 1.0
N B:GLY202 4.3 17.6 1.0
C5B B:NAD403 4.4 21.3 1.0
O4D B:NAD403 4.4 20.6 1.0
NH1 B:ARG369 4.4 20.8 1.0
C3D B:NAD403 4.5 20.8 1.0
C2D B:NAD403 4.5 20.9 1.0
N B:ARG47 4.7 22.4 1.0
CG B:ARG47 4.7 25.1 1.0
CA B:ALA203 4.7 17.4 1.0
CA B:GLY201 4.8 19.9 1.0
C B:GLY201 4.8 20.0 1.0
CA B:GLY202 4.9 18.1 1.0
CA B:ARG47 4.9 23.8 1.0
C B:GLY202 5.0 17.1 1.0
C6N B:NAD403 5.0 16.7 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: Fri Sep 25 12:21:36 2020

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