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Sodium in PDB 1o02: Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+

Enzymatic activity of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+

All present enzymatic activity of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+:
1.2.1.3;

Protein crystallography data

The structure of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+, PDB code: 1o02 was solved by S.J.Perez-Miller, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.97 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 141.492, 150.873, 177.195, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.3

Other elements in 1o02:

The structure of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ (pdb code 1o02). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 8 binding sites of Sodium where determined in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+, PDB code: 1o02:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Sodium binding site 1 out of 8 in 1o02

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Sodium binding site 1 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na4602

b:25.5
occ:1.00
OD1 A:ASP109 2.2 28.6 1.0
O A:GLN196 2.4 23.1 1.0
O A:VAL40 2.4 27.1 1.0
O A:HOH4919 2.4 36.8 1.0
O A:ASP109 2.5 22.3 1.0
OG1 A:THR39 3.2 31.9 1.0
O A:HOH4918 3.3 37.1 1.0
CG A:ASP109 3.3 29.4 1.0
C A:ASP109 3.4 22.5 1.0
C A:VAL40 3.5 28.4 1.0
C A:GLN196 3.6 23.2 1.0
N A:VAL40 3.7 29.4 1.0
CA A:ASP109 3.7 23.7 1.0
CB A:ASP109 4.1 26.3 1.0
CA A:VAL40 4.1 28.5 1.0
OD2 A:ASP109 4.1 29.8 1.0
CD A:PRO42 4.3 25.6 1.0
C A:THR39 4.4 29.8 1.0
CB A:THR39 4.4 30.6 1.0
CA A:GLN196 4.4 22.6 1.0
N A:THR197 4.5 21.0 1.0
N A:ASN41 4.6 26.9 1.0
CG2 A:THR197 4.6 19.0 1.0
CA A:THR197 4.6 20.9 1.0
N A:ASN110 4.7 22.0 1.0
CA A:THR39 4.7 30.1 1.0
CD1 A:ILE48 4.8 29.4 1.0
CB A:GLN196 4.9 24.4 1.0
CA A:ASN41 4.9 25.4 1.0
CB A:VAL40 5.0 28.5 1.0

Sodium binding site 2 out of 8 in 1o02

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Sodium binding site 2 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na602

b:21.4
occ:1.00
OD1 B:ASP109 2.3 21.9 1.0
O B:HOH797 2.3 29.3 1.0
O B:GLN196 2.4 19.1 1.0
O B:ASP109 2.4 17.9 1.0
O B:VAL40 2.4 22.2 1.0
OG1 B:THR39 3.1 22.3 1.0
O B:HOH796 3.2 23.8 1.0
CG B:ASP109 3.3 20.5 1.0
C B:ASP109 3.4 17.9 1.0
C B:VAL40 3.5 22.1 1.0
C B:GLN196 3.6 19.1 1.0
CA B:ASP109 3.7 17.3 1.0
N B:VAL40 3.7 22.3 1.0
CB B:ASP109 4.1 18.9 1.0
CA B:VAL40 4.1 22.5 1.0
OD2 B:ASP109 4.2 21.8 1.0
CD B:PRO42 4.4 19.8 1.0
CB B:THR39 4.4 23.9 1.0
C B:THR39 4.4 22.3 1.0
CA B:GLN196 4.5 19.5 1.0
CG2 B:THR197 4.5 17.8 1.0
N B:THR197 4.6 18.0 1.0
N B:ASN110 4.6 18.1 1.0
CA B:THR197 4.6 18.1 1.0
N B:ASN41 4.6 20.4 1.0
CA B:THR39 4.7 22.9 1.0
CD1 B:ILE48 4.7 20.7 1.0
CB B:GLN196 4.9 20.3 1.0
CB B:VAL40 5.0 22.2 1.0

Sodium binding site 3 out of 8 in 1o02

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Sodium binding site 3 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na602

b:21.5
occ:1.00
O C:HOH1056 2.3 34.0 1.0
O C:GLN196 2.4 19.4 1.0
O C:VAL40 2.4 18.4 1.0
O C:ASP109 2.4 18.2 1.0
OD1 C:ASP109 2.5 19.2 1.0
OG1 C:THR39 3.0 18.4 1.0
O C:HOH1165 3.1 25.1 1.0
CG C:ASP109 3.4 19.4 1.0
C C:ASP109 3.4 17.8 1.0
C C:VAL40 3.5 18.2 1.0
C C:GLN196 3.6 18.6 1.0
CA C:ASP109 3.7 18.0 1.0
N C:VAL40 3.8 16.5 1.0
CB C:ASP109 4.1 19.4 1.0
CA C:VAL40 4.2 18.2 1.0
OD2 C:ASP109 4.2 19.8 1.0
CD C:PRO42 4.3 15.0 1.0
CB C:THR39 4.4 18.3 1.0
C C:THR39 4.5 17.1 1.0
CA C:GLN196 4.5 18.5 1.0
CG2 C:THR197 4.5 19.7 1.0
N C:THR197 4.5 17.3 1.0
N C:ASN41 4.6 16.8 1.0
N C:ASN110 4.6 17.0 1.0
CA C:THR197 4.6 18.0 1.0
CD1 C:ILE48 4.7 15.0 1.0
O C:HOH1057 4.7 31.4 1.0
CA C:THR39 4.8 17.8 1.0
CA C:ASN41 4.9 16.0 1.0
CB C:GLN196 4.9 19.8 1.0
CB C:VAL40 5.0 18.0 1.0

Sodium binding site 4 out of 8 in 1o02

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Sodium binding site 4 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na602

b:27.9
occ:1.00
OD1 D:ASP109 2.3 21.7 1.0
O D:ASP109 2.4 17.2 1.0
O D:VAL40 2.4 26.7 1.0
O D:GLN196 2.4 23.3 1.0
O D:HOH1118 2.5 28.9 1.0
O D:HOH1119 2.9 37.3 1.0
OG1 D:THR39 3.1 26.2 1.0
CG D:ASP109 3.3 23.8 1.0
C D:ASP109 3.3 19.7 1.0
C D:VAL40 3.5 26.1 1.0
C D:GLN196 3.6 21.2 1.0
CA D:ASP109 3.7 19.4 1.0
N D:VAL40 3.7 24.6 1.0
CB D:ASP109 4.0 21.7 1.0
CA D:VAL40 4.1 25.9 1.0
OD2 D:ASP109 4.2 23.6 1.0
CD D:PRO42 4.3 23.9 1.0
C D:THR39 4.4 24.7 1.0
CB D:THR39 4.4 26.0 1.0
CA D:GLN196 4.5 21.5 1.0
CG2 D:THR197 4.5 21.1 1.0
N D:ASN110 4.6 18.3 1.0
N D:THR197 4.6 20.2 1.0
N D:ASN41 4.6 25.5 1.0
CA D:THR197 4.6 20.5 1.0
CD1 D:ILE48 4.7 21.9 1.0
CA D:THR39 4.7 24.8 1.0
CA D:ASN41 4.9 25.7 1.0
CB D:GLN196 5.0 23.0 1.0
CB D:VAL40 5.0 27.0 1.0

Sodium binding site 5 out of 8 in 1o02

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Sodium binding site 5 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na602

b:25.7
occ:1.00
O E:ASP109 2.3 20.3 1.0
O E:VAL40 2.4 23.2 1.0
OD1 E:ASP109 2.4 22.7 1.0
O E:HOH1084 2.4 33.2 1.0
O E:GLN196 2.5 19.8 1.0
OG1 E:THR39 3.1 25.0 1.0
C E:ASP109 3.3 20.5 1.0
CG E:ASP109 3.3 23.2 1.0
O E:HOH1085 3.5 26.0 1.0
C E:VAL40 3.5 24.4 1.0
CA E:ASP109 3.6 21.0 1.0
C E:GLN196 3.7 20.8 1.0
N E:VAL40 3.8 23.9 1.0
CB E:ASP109 4.0 21.4 1.0
OD2 E:ASP109 4.2 22.8 1.0
CA E:VAL40 4.2 23.5 1.0
CD E:PRO42 4.2 21.9 1.0
CB E:THR39 4.4 24.8 1.0
C E:THR39 4.5 23.4 1.0
N E:ASN110 4.5 20.4 1.0
N E:ASN41 4.6 22.1 1.0
CA E:GLN196 4.6 20.0 1.0
CD1 E:ILE48 4.6 25.9 1.0
CG2 E:THR197 4.6 21.7 1.0
N E:THR197 4.7 20.0 1.0
CA E:THR197 4.7 20.8 1.0
CA E:THR39 4.8 23.4 1.0
CA E:ASN41 4.9 21.6 1.0
O E:VAL345 5.0 21.4 1.0
CB E:VAL40 5.0 24.5 1.0
N E:ASP109 5.0 18.3 1.0

Sodium binding site 6 out of 8 in 1o02

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Sodium binding site 6 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Na602

b:19.1
occ:1.00
O F:VAL40 2.3 16.4 1.0
OD1 F:ASP109 2.3 17.7 1.0
O F:ASP109 2.4 16.2 1.0
O F:HOH1017 2.5 28.2 1.0
O F:GLN196 2.5 15.9 1.0
OG1 F:THR39 3.1 19.1 1.0
O F:HOH792 3.2 25.7 1.0
CG F:ASP109 3.3 17.4 1.0
C F:ASP109 3.4 16.7 1.0
C F:VAL40 3.4 16.8 1.0
CA F:ASP109 3.7 15.5 1.0
N F:VAL40 3.7 17.2 1.0
C F:GLN196 3.7 14.6 1.0
CB F:ASP109 4.1 13.9 1.0
CA F:VAL40 4.1 17.1 1.0
OD2 F:ASP109 4.2 14.3 1.0
CD F:PRO42 4.2 12.1 1.0
C F:THR39 4.4 16.9 1.0
CB F:THR39 4.4 18.4 1.0
N F:ASN41 4.5 16.5 1.0
O F:HOH1016 4.5 23.5 1.0
CG2 F:THR197 4.5 14.9 1.0
N F:ASN110 4.6 16.3 1.0
CD1 F:ILE48 4.6 12.6 1.0
CA F:GLN196 4.6 15.9 1.0
N F:THR197 4.7 13.1 1.0
CA F:THR197 4.7 14.3 1.0
CA F:THR39 4.7 16.6 1.0
CA F:ASN41 4.8 15.3 1.0
CB F:VAL40 4.9 17.8 1.0

Sodium binding site 7 out of 8 in 1o02

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Sodium binding site 7 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Na602

b:21.4
occ:1.00
O G:VAL40 2.3 23.0 1.0
OD1 G:ASP109 2.4 24.7 1.0
O G:HOH718 2.4 30.4 1.0
O G:GLN196 2.4 20.8 1.0
O G:ASP109 2.5 22.7 1.0
O G:HOH717 3.1 32.5 1.0
OG1 G:THR39 3.2 25.7 1.0
CG G:ASP109 3.4 23.6 1.0
C G:VAL40 3.4 24.6 1.0
C G:ASP109 3.5 21.0 1.0
C G:GLN196 3.6 22.1 1.0
N G:VAL40 3.6 22.8 1.0
CA G:ASP109 3.8 21.5 1.0
CA G:VAL40 4.0 24.2 1.0
CB G:ASP109 4.2 21.1 1.0
OD2 G:ASP109 4.2 25.5 1.0
C G:THR39 4.3 23.9 1.0
CD G:PRO42 4.4 21.2 1.0
CB G:THR39 4.4 25.6 1.0
CA G:GLN196 4.5 21.7 1.0
N G:ASN41 4.5 23.7 1.0
N G:THR197 4.6 21.5 1.0
CG2 G:THR197 4.6 20.8 1.0
CD1 G:ILE48 4.7 25.0 1.0
CA G:THR39 4.7 24.4 1.0
CA G:THR197 4.7 21.1 1.0
N G:ASN110 4.7 21.1 1.0
CB G:VAL40 4.8 24.1 1.0
CA G:ASN41 4.9 22.9 1.0
CB G:GLN196 4.9 21.2 1.0

Sodium binding site 8 out of 8 in 1o02

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Sodium binding site 8 out of 8 in the Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh in the Presence of MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Na602

b:30.7
occ:1.00
O H:GLN196 2.3 25.0 1.0
OD1 H:ASP109 2.4 26.4 1.0
O H:VAL40 2.4 28.2 1.0
O H:HOH753 2.4 36.0 1.0
O H:ASP109 2.5 24.6 1.0
OG1 H:THR39 2.9 29.5 1.0
CG H:ASP109 3.3 26.7 1.0
O H:HOH754 3.4 29.2 1.0
C H:ASP109 3.5 23.4 1.0
C H:GLN196 3.5 24.9 1.0
C H:VAL40 3.5 29.1 1.0
N H:VAL40 3.7 26.3 1.0
CA H:ASP109 3.8 23.8 1.0
CB H:ASP109 4.1 25.1 1.0
CA H:VAL40 4.1 28.4 1.0
OD2 H:ASP109 4.1 25.7 1.0
CB H:THR39 4.3 27.9 1.0
C H:THR39 4.3 27.0 1.0
CA H:GLN196 4.4 25.3 1.0
CD H:PRO42 4.4 28.6 1.0
CG2 H:THR197 4.5 22.1 1.0
N H:THR197 4.5 25.2 1.0
CA H:THR197 4.6 25.0 1.0
CA H:THR39 4.6 27.2 1.0
N H:ASN41 4.6 28.4 1.0
N H:ASN110 4.7 23.1 1.0
CD1 H:ILE48 4.8 25.6 1.0
CB H:GLN196 4.8 25.2 1.0
CB H:VAL40 4.9 28.2 1.0
CG2 H:THR39 4.9 27.4 1.0
CA H:ASN41 5.0 29.9 1.0

Reference:

S.J.Perez-Miller, T.D.Hurley. Coenzyme Isomerization Is Integral to Catalysis in Aldehyde Dehydrogenase Biochemistry V. 42 7100 2003.
ISSN: ISSN 0006-2960
PubMed: 12795606
DOI: 10.1021/BI034182W
Page generated: Tue Dec 15 05:31:53 2020

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