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 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 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 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 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

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