Phosphorus in PDB 1ahi: 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
Enzymatic activity of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
All present enzymatic activity of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid:
1.1.1.159;
Protein crystallography data
The structure of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid, PDB code: 1ahi
was solved by
N.Tanaka,
T.Nonaka,
Y.Mitsui,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
2.30
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.590,
81.590,
214.650,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18 /
25
|
Phosphorus Binding Sites:
The binding sites of Phosphorus atom in the 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
(pdb code 1ahi). This binding sites where shown within
5.0 Angstroms radius around Phosphorus atom.
In total 4 binding sites of Phosphorus where determined in the
7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid, PDB code: 1ahi:
Jump to Phosphorus binding site number:
1;
2;
3;
4;
Phosphorus binding site 1 out
of 4 in 1ahi
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Phosphorus Binding Sites List in 1ahi
Phosphorus binding site 1 out
of 4 in the 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 1 of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P302
b:69.8
occ:1.00
|
PA
|
A:NAI302
|
0.0
|
69.8
|
1.0
|
O2A
|
A:NAI302
|
1.5
|
67.0
|
1.0
|
O1A
|
A:NAI302
|
1.5
|
72.5
|
1.0
|
O3
|
A:NAI302
|
1.6
|
70.2
|
1.0
|
O5B
|
A:NAI302
|
1.6
|
67.2
|
1.0
|
C5B
|
A:NAI302
|
2.6
|
61.6
|
1.0
|
PN
|
A:NAI302
|
3.0
|
72.2
|
1.0
|
O2N
|
A:NAI302
|
3.4
|
69.2
|
1.0
|
O1N
|
A:NAI302
|
3.6
|
72.0
|
1.0
|
C4B
|
A:NAI302
|
3.9
|
57.3
|
1.0
|
CB
|
A:ALA196
|
4.0
|
56.9
|
1.0
|
CG2
|
A:THR194
|
4.1
|
56.8
|
1.0
|
O5D
|
A:NAI302
|
4.2
|
70.7
|
1.0
|
C3B
|
A:NAI302
|
4.2
|
53.0
|
1.0
|
C5D
|
A:NAI302
|
4.6
|
65.6
|
1.0
|
O
|
A:ALA21
|
4.8
|
29.5
|
1.0
|
O4B
|
A:NAI302
|
4.8
|
56.3
|
1.0
|
N
|
A:ALA196
|
4.9
|
60.2
|
1.0
|
CA
|
A:ALA196
|
5.0
|
58.8
|
1.0
|
|
Phosphorus binding site 2 out
of 4 in 1ahi
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Phosphorus Binding Sites List in 1ahi
Phosphorus binding site 2 out
of 4 in the 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 2 of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P302
b:72.2
occ:1.00
|
PN
|
A:NAI302
|
0.0
|
72.2
|
1.0
|
O2N
|
A:NAI302
|
1.5
|
69.2
|
1.0
|
O1N
|
A:NAI302
|
1.5
|
72.0
|
1.0
|
O3
|
A:NAI302
|
1.6
|
70.2
|
1.0
|
O5D
|
A:NAI302
|
1.6
|
70.7
|
1.0
|
C5D
|
A:NAI302
|
2.7
|
65.6
|
1.0
|
PA
|
A:NAI302
|
3.0
|
69.8
|
1.0
|
O2A
|
A:NAI302
|
3.3
|
67.0
|
1.0
|
O5B
|
A:NAI302
|
3.6
|
67.2
|
1.0
|
CG2
|
A:THR194
|
3.9
|
56.8
|
1.0
|
C4D
|
A:NAI302
|
4.1
|
61.9
|
1.0
|
O1A
|
A:NAI302
|
4.1
|
72.5
|
1.0
|
C5B
|
A:NAI302
|
4.1
|
61.6
|
1.0
|
O4D
|
A:NAI302
|
4.2
|
60.3
|
1.0
|
N7N
|
A:NAI302
|
4.3
|
49.8
|
1.0
|
N
|
A:ILE23
|
4.3
|
34.6
|
1.0
|
OG1
|
A:THR194
|
4.4
|
55.5
|
1.0
|
CB
|
A:ALA196
|
4.4
|
56.9
|
1.0
|
C2N
|
A:NAI302
|
4.5
|
57.1
|
1.0
|
CG1
|
A:ILE23
|
4.5
|
26.1
|
1.0
|
CB
|
A:ILE23
|
4.5
|
27.5
|
1.0
|
CB
|
A:THR194
|
4.5
|
55.4
|
1.0
|
CD1
|
A:ILE23
|
4.6
|
26.1
|
1.0
|
CA
|
A:GLY22
|
4.7
|
33.4
|
1.0
|
O
|
A:ALA21
|
4.9
|
29.5
|
1.0
|
C3D
|
A:NAI302
|
5.0
|
62.0
|
1.0
|
C
|
A:GLY22
|
5.0
|
31.5
|
1.0
|
|
Phosphorus binding site 3 out
of 4 in 1ahi
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Phosphorus Binding Sites List in 1ahi
Phosphorus binding site 3 out
of 4 in the 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 3 of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P302
b:48.5
occ:1.00
|
PA
|
B:NAI302
|
0.0
|
48.5
|
1.0
|
O2A
|
B:NAI302
|
1.5
|
42.6
|
1.0
|
O1A
|
B:NAI302
|
1.5
|
42.7
|
1.0
|
O3
|
B:NAI302
|
1.6
|
49.2
|
1.0
|
O5B
|
B:NAI302
|
1.6
|
46.4
|
1.0
|
C5B
|
B:NAI302
|
2.6
|
44.7
|
1.0
|
PN
|
B:NAI302
|
3.0
|
53.2
|
1.0
|
O2N
|
B:NAI302
|
3.5
|
52.8
|
1.0
|
CG2
|
B:THR194
|
3.7
|
47.3
|
1.0
|
O1N
|
B:NAI302
|
3.8
|
55.8
|
1.0
|
C4B
|
B:NAI302
|
3.9
|
43.3
|
1.0
|
O5D
|
B:NAI302
|
3.9
|
54.7
|
1.0
|
CB
|
B:ALA196
|
4.1
|
53.0
|
1.0
|
O
|
B:HOH436
|
4.2
|
31.5
|
1.0
|
O
|
B:HOH405
|
4.2
|
24.9
|
1.0
|
C3B
|
B:NAI302
|
4.3
|
39.8
|
1.0
|
N
|
B:ALA196
|
4.5
|
58.4
|
1.0
|
CA
|
B:ALA196
|
4.8
|
56.2
|
1.0
|
CA
|
B:GLY22
|
4.8
|
26.7
|
1.0
|
C5D
|
B:NAI302
|
4.9
|
53.8
|
1.0
|
N
|
B:GLY22
|
4.9
|
25.2
|
1.0
|
CB
|
B:ALA21
|
4.9
|
17.6
|
1.0
|
O4B
|
B:NAI302
|
5.0
|
42.1
|
1.0
|
|
Phosphorus binding site 4 out
of 4 in 1ahi
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Phosphorus Binding Sites List in 1ahi
Phosphorus binding site 4 out
of 4 in the 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 4 of 7 Alpha-Hydroxysteroid Dehydrogenase Complexed with Nadh and 7-Oxo Glycochenodeoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P302
b:53.2
occ:1.00
|
PN
|
B:NAI302
|
0.0
|
53.2
|
1.0
|
O1N
|
B:NAI302
|
1.5
|
55.8
|
1.0
|
O2N
|
B:NAI302
|
1.5
|
52.8
|
1.0
|
O3
|
B:NAI302
|
1.6
|
49.2
|
1.0
|
O5D
|
B:NAI302
|
1.6
|
54.7
|
1.0
|
C5D
|
B:NAI302
|
2.8
|
53.8
|
1.0
|
PA
|
B:NAI302
|
3.0
|
48.5
|
1.0
|
O2A
|
B:NAI302
|
3.5
|
42.6
|
1.0
|
O5B
|
B:NAI302
|
3.5
|
46.4
|
1.0
|
CG2
|
B:THR194
|
3.6
|
47.3
|
1.0
|
O
|
B:HOH405
|
3.6
|
24.9
|
1.0
|
O4D
|
B:NAI302
|
3.9
|
54.0
|
1.0
|
C4D
|
B:NAI302
|
3.9
|
57.0
|
1.0
|
O1A
|
B:NAI302
|
4.1
|
42.7
|
1.0
|
C5B
|
B:NAI302
|
4.1
|
44.7
|
1.0
|
C2N
|
B:NAI302
|
4.1
|
61.1
|
1.0
|
N7N
|
B:NAI302
|
4.2
|
73.4
|
1.0
|
N
|
B:ILE23
|
4.3
|
24.6
|
1.0
|
CD1
|
B:ILE23
|
4.4
|
11.6
|
1.0
|
CB
|
B:ALA196
|
4.5
|
53.0
|
1.0
|
CG1
|
B:ILE23
|
4.5
|
13.6
|
1.0
|
CB
|
B:THR194
|
4.5
|
52.0
|
1.0
|
CB
|
B:ILE23
|
4.6
|
12.6
|
1.0
|
OG1
|
B:THR194
|
4.6
|
49.2
|
1.0
|
C1D
|
B:NAI302
|
4.8
|
60.7
|
1.0
|
CA
|
B:GLY22
|
4.8
|
26.7
|
1.0
|
C3D
|
B:NAI302
|
4.9
|
58.6
|
1.0
|
C2D
|
B:NAI302
|
4.9
|
60.4
|
1.0
|
N1N
|
B:NAI302
|
5.0
|
62.1
|
1.0
|
|
Reference:
N.Tanaka,
T.Nonaka,
T.Tanabe,
T.Yoshimoto,
D.Tsuru,
Y.Mitsui.
Crystal Structures of the Binary and Ternary Complexes of 7 Alpha-Hydroxysteroid Dehydrogenase From Escherichia Coli. Biochemistry V. 35 7715 1996.
ISSN: ISSN 0006-2960
PubMed: 8672472
DOI: 10.1021/BI951904D
Page generated: Fri Sep 25 12:56:45 2020
|