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:
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
Go back to
Magnesium Binding Sites List in 1nzw
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 Sites List in 1nzw
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 Sites List in 1nzw
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
Go back to
Magnesium Binding Sites List in 1nzw
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 Sites List in 1nzw
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 Sites List in 1nzw
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
Go back to
Magnesium Binding Sites List in 1nzw
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
Go back to
Magnesium Binding Sites List in 1nzw
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: Tue Aug 13 10:28:15 2024
|