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
Go back to
Phosphorus Binding Sites List in 1a71
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
Go back to
Phosphorus Binding Sites List in 1a71
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
Go back to
Phosphorus Binding Sites List in 1a71
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
Go back to
Phosphorus Binding Sites List in 1a71
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
|