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Magnesium in PDB 1nzw: CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+

Enzymatic activity of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+

All present enzymatic activity of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+:
1.2.1.3;

Protein crystallography data

The structure of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+, PDB code: 1nzw 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) 24.65 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 141.361, 150.494, 176.923, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 25.2

Other elements in 1nzw:

The structure of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ also contains other interesting chemical elements:

Sodium (Na) 8 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ (pdb code 1nzw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+, PDB code: 1nzw:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 1nzw

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Magnesium binding site 1 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1701

b:32.0
occ:1.00
O1N A:NAI1502 2.2 29.5 1.0
O A:HOH1756 2.2 28.3 1.0
O2A A:NAI1502 2.3 30.7 1.0
PN A:NAI1502 3.3 29.4 1.0
PA A:NAI1502 3.4 29.4 1.0
O3 A:NAI1502 3.4 29.4 1.0
O2N A:NAI1502 4.3 29.6 1.0
O A:HOH1785 4.3 25.4 1.0
O5B A:NAI1502 4.4 30.3 1.0
CG1 A:ILE249 4.4 31.9 1.0
O1A A:NAI1502 4.4 28.0 1.0
O5D A:NAI1502 4.5 29.5 1.0
OG A:SER246 4.5 34.4 1.0
C5D A:NAI1502 4.5 28.6 1.0
C8A A:NAI1502 4.6 30.9 1.0
OE1 A:GLU248 4.9 49.8 1.0
N7A A:NAI1502 4.9 31.1 1.0
O A:HOH1754 4.9 35.8 1.0
CD1 A:ILE249 4.9 30.6 1.0

Magnesium binding site 2 out of 8 in 1nzw

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Magnesium binding site 2 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1702

b:22.2
occ:1.00
O1N B:NAI2502 2.1 25.3 1.0
O2A B:NAI2502 2.3 29.6 1.0
O B:HOH2563 2.7 25.2 1.0
PN B:NAI2502 3.4 26.6 1.0
PA B:NAI2502 3.5 27.8 1.0
O3 B:NAI2502 3.8 26.6 1.0
O5B B:NAI2502 4.2 27.1 1.0
O2N B:NAI2502 4.3 26.0 1.0
CG1 B:ILE249 4.4 32.8 1.0
C8A B:NAI2502 4.5 24.6 1.0
O5D B:NAI2502 4.6 24.6 1.0
OG B:SER246 4.6 27.4 1.0
O1A B:NAI2502 4.7 27.5 1.0
N7A B:NAI2502 4.7 25.6 1.0
C5D B:NAI2502 4.7 23.9 1.0
CD1 B:ILE249 4.9 29.9 1.0

Magnesium binding site 3 out of 8 in 1nzw

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Magnesium binding site 3 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1703

b:26.8
occ:1.00
O2A C:NAI3502 2.3 21.0 1.0
O1N C:NAI3502 2.3 16.5 1.0
O C:HOH3611 2.3 31.6 1.0
PA C:NAI3502 3.4 20.3 1.0
PN C:NAI3502 3.4 15.7 1.0
O3 C:NAI3502 3.6 19.2 1.0
O C:HOH3582 3.7 29.8 1.0
O5B C:NAI3502 4.3 18.7 1.0
O2N C:NAI3502 4.4 17.3 1.0
C5D C:NAI3502 4.5 18.7 1.0
O5D C:NAI3502 4.5 16.9 1.0
CG1 C:ILE249 4.5 27.7 1.0
O1A C:NAI3502 4.5 19.7 1.0
OG C:SER246 4.5 33.3 1.0
C8A C:NAI3502 4.7 18.3 1.0
CD1 C:ILE249 5.0 24.5 1.0

Magnesium binding site 4 out of 8 in 1nzw

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Magnesium binding site 4 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1704

b:31.6
occ:1.00
O2A D:NAI4502 2.2 25.7 1.0
O1N D:NAI4502 2.5 29.4 1.0
PA D:NAI4502 3.5 30.0 1.0
PN D:NAI4502 3.8 31.1 1.0
O3 D:NAI4502 4.0 30.0 1.0
CG1 D:ILE249 4.3 25.2 1.0
OG D:SER246 4.4 26.2 1.0
O5B D:NAI4502 4.4 26.4 1.0
O1A D:NAI4502 4.5 27.5 1.0
CD1 D:ILE249 4.6 25.4 1.0
C5D D:NAI4502 4.6 29.3 1.0
O5D D:NAI4502 4.7 30.2 1.0
O2N D:NAI4502 4.7 31.4 1.0
OE2 D:GLU248 4.8 46.2 1.0
C8A D:NAI4502 4.9 22.0 1.0

Magnesium binding site 5 out of 8 in 1nzw

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Magnesium binding site 5 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg1705

b:35.2
occ:1.00
O2A E:NAI5502 2.2 24.1 1.0
O1N E:NAI5502 2.4 25.4 1.0
O E:HOH5584 2.5 34.9 1.0
O E:HOH5538 2.9 30.8 1.0
PA E:NAI5502 3.4 25.6 1.0
PN E:NAI5502 3.5 25.6 1.0
O3 E:NAI5502 3.6 26.6 1.0
C5D E:NAI5502 4.0 24.0 1.0
O5D E:NAI5502 4.2 23.7 1.0
OG E:SER246 4.3 26.4 1.0
O5B E:NAI5502 4.4 26.1 1.0
O1A E:NAI5502 4.4 27.0 1.0
CG1 E:ILE249 4.6 30.8 1.0
OE1 E:GLU248 4.6 45.1 1.0
O E:HOH5585 4.6 33.6 1.0
O2N E:NAI5502 4.6 25.3 1.0
CB E:SER246 4.9 28.4 1.0

Magnesium binding site 6 out of 8 in 1nzw

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Magnesium binding site 6 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1706

b:27.3
occ:1.00
O1N F:NAI6502 2.1 15.4 1.0
O2A F:NAI6502 2.1 14.2 1.0
O F:HOH6621 2.3 34.8 1.0
O F:HOH6525 2.5 24.2 1.0
PA F:NAI6502 3.3 15.2 1.0
PN F:NAI6502 3.4 14.2 1.0
O3 F:NAI6502 3.6 15.9 1.0
C5D F:NAI6502 4.0 18.9 1.0
O5D F:NAI6502 4.2 14.8 1.0
O1A F:NAI6502 4.2 14.9 1.0
O2N F:NAI6502 4.4 11.8 1.0
O5B F:NAI6502 4.4 14.3 1.0
OG F:SER246 4.6 25.6 1.0
CG1 F:ILE249 4.7 27.5 1.0
OE1 F:GLU248 4.8 50.9 1.0

Magnesium binding site 7 out of 8 in 1nzw

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Magnesium binding site 7 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg1707

b:28.4
occ:1.00
O2A G:NAI7502 2.2 29.3 1.0
O1N G:NAI7502 2.3 26.9 1.0
O G:HOH7536 2.8 21.8 1.0
PA G:NAI7502 3.5 27.2 1.0
PN G:NAI7502 3.6 26.5 1.0
O3 G:NAI7502 3.7 26.6 1.0
O5B G:NAI7502 4.4 26.8 1.0
OG G:SER246 4.4 28.7 1.0
CG1 G:ILE249 4.4 27.2 1.0
O2N G:NAI7502 4.5 27.4 1.0
O1A G:NAI7502 4.5 27.3 1.0
O5D G:NAI7502 4.6 24.8 1.0
C5D G:NAI7502 4.6 24.4 1.0
C8A G:NAI7502 4.8 28.9 1.0
CD1 G:ILE249 4.9 26.3 1.0
N7A G:NAI7502 5.0 29.0 1.0

Magnesium binding site 8 out of 8 in 1nzw

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Magnesium binding site 8 out of 8 in the CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of CYS302SER Mutant of Human Mitochondrial Aldehyde Dehydrogenase Complexed with Nadh and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg1708

b:32.1
occ:1.00
O1N H:NAI8502 2.2 34.3 1.0
O2A H:NAI8502 2.5 36.1 1.0
O H:HOH8542 2.5 33.5 1.0
PN H:NAI8502 3.5 34.8 1.0
PA H:NAI8502 3.6 37.0 1.0
O H:HOH8538 3.7 21.9 1.0
O3 H:NAI8502 3.8 33.5 1.0
O H:HOH8567 4.0 30.4 1.0
O5B H:NAI8502 4.3 33.1 1.0
O2N H:NAI8502 4.3 31.7 1.0
OG H:SER246 4.5 35.5 1.0
CG1 H:ILE249 4.5 35.8 1.0
O5D H:NAI8502 4.5 31.7 1.0
C5D H:NAI8502 4.6 33.4 1.0
C8A H:NAI8502 4.6 32.3 1.0
O1A H:NAI8502 4.8 34.5 1.0
N7A H:NAI8502 4.9 32.7 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: Mon Dec 14 06:34:06 2020

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