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Samarium in PDB 1a4z: Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III)

Enzymatic activity of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III)

All present enzymatic activity of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III):
1.2.1.3;

Protein crystallography data

The structure of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III), PDB code: 1a4z was solved by C.G.Steinmetz, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 122.600, 198.400, 91.600, 90.00, 90.00, 90.00
R / Rfree (%) 23 / 30.2

Samarium Binding Sites:

The binding sites of Samarium atom in the Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III) (pdb code 1a4z). This binding sites where shown within 5.0 Angstroms radius around Samarium atom.
In total 4 binding sites of Samarium where determined in the Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III), PDB code: 1a4z:
Jump to Samarium binding site number: 1; 2; 3; 4;

Samarium binding site 1 out of 4 in 1a4z

Go back to Samarium Binding Sites List in 1a4z
Samarium binding site 1 out of 4 in the Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III)


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 1 of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm502

b:18.6
occ:0.50
 O A:HOH514 2.1 13.4 1.0
O2A A:NAD501 2.4 11.5 1.0
PA A:NAD501 3.9 11.5 1.0
O5B A:NAD501 4.3 11.5 1.0
C8A A:NAD501 4.4 11.5 1.0
O1N A:NAD501 4.5 11.5 1.0
O1A A:NAD501 4.7 11.5 1.0
OE2 A:GLU195 4.8 7.7 1.0
N7A A:NAD501 4.8 11.5 1.0
O3 A:NAD501 4.9 11.5 1.0
NE2 A:GLN196 4.9 7.7 1.0

Samarium binding site 2 out of 4 in 1a4z

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Samarium binding site 2 out of 4 in the Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III)


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 2 of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sm502

b:19.7
occ:0.45
 O B:HOH514 2.0 13.5 0.5
O2A B:NAD501 2.3 11.2 1.0
PA B:NAD501 3.8 11.2 1.0
O5B B:NAD501 4.3 11.2 1.0
O1A B:NAD501 4.4 11.2 1.0
C8A B:NAD501 4.6 11.2 1.0
N7A B:NAD501 4.9 11.2 1.0
O3 B:NAD501 4.9 11.2 1.0
O1N B:NAD501 5.0 11.2 1.0

Samarium binding site 3 out of 4 in 1a4z

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Samarium binding site 3 out of 4 in the Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III)


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 3 of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Sm502

b:15.8
occ:0.47
 O C:HOH511 2.0 15.4 0.5
O2A C:NAD501 2.2 12.3 1.0
PA C:NAD501 3.7 12.3 1.0
O5B C:NAD501 4.3 12.3 1.0
O1A C:NAD501 4.4 12.3 1.0
O1N C:NAD501 4.5 12.3 1.0
C8A C:NAD501 4.6 12.3 1.0
O3 C:NAD501 4.8 12.3 1.0
OE1 C:GLN196 4.8 15.7 1.0

Samarium binding site 4 out of 4 in 1a4z

Go back to Samarium Binding Sites List in 1a4z
Samarium binding site 4 out of 4 in the Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III)


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 4 of Aldehyde Dehydrogenase From Bovine Mitochondria Complex with Nad (Reduced) and Samarium (III) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Sm502

b:17.1
occ:0.47
 O D:HOH512 1.9 14.2 0.4
O2A D:NAD501 2.2 12.0 1.0
PA D:NAD501 3.7 12.0 1.0
O5B D:NAD501 4.2 12.0 1.0
O1A D:NAD501 4.3 12.0 1.0
C8A D:NAD501 4.5 12.0 1.0
O1N D:NAD501 4.6 12.0 1.0
O3 D:NAD501 4.8 12.0 1.0
NE2 D:GLN196 4.9 11.2 1.0
N7A D:NAD501 4.9 12.0 1.0
OE2 D:GLU195 5.0 11.2 1.0

Reference:

C.G.Steinmetz, P.Xie, H.Weiner, T.D.Hurley. Structure of Mitochondrial Aldehyde Dehydrogenase: the Genetic Component of Ethanol Aversion. Structure V. 5 701 1997.
ISSN: ISSN 0969-2126
PubMed: 9195888
DOI: 10.1016/S0969-2126(97)00224-4
Page generated: Wed Dec 16 02:09:47 2020

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