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Magnesium in PDB 3l4p: Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-

Enzymatic activity of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-

All present enzymatic activity of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-:
1.2.99.7;

Protein crystallography data

The structure of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-, PDB code: 3l4p was solved by D.R.Boer, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.44 / 1.45
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 142.890, 142.890, 161.640, 90.00, 90.00, 120.00
R / Rfree (%) 14.2 / 16.6

Other elements in 3l4p:

The structure of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- also contains other interesting chemical elements:

Molybdenum (Mo) 1 atom
Arsenic (As) 1 atom
Iron (Fe) 4 atoms
Calcium (Ca) 1 atom
Chlorine (Cl) 9 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- (pdb code 3l4p). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-, PDB code: 3l4p:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 3l4p

Go back to Magnesium Binding Sites List in 3l4p
Magnesium binding site 1 out of 5 in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg910

b:26.2
occ:1.00
 O A:HOH2272 2.3 21.5 1.0
O A:HOH1568 2.4 25.6 1.0
O A:HOH1760 2.4 31.8 1.0
O A:HOH1391 2.5 20.6 1.0
O A:HOH1937 2.5 37.3 1.0
O A:HOH1938 2.7 40.6 1.0
NH1 A:ARG593 4.0 16.5 1.0
OD1 A:ASP590 4.1 13.3 1.0
O A:HOH1711 4.3 30.5 1.0
O A:HOH1479 4.4 22.7 1.0
O A:HOH1939 4.4 47.0 1.0
O A:HOH1718 4.5 27.9 1.0
CG A:ASP590 4.6 9.1 1.0
CZ A:ARG593 5.0 13.2 1.0

Magnesium binding site 2 out of 5 in 3l4p

Go back to Magnesium Binding Sites List in 3l4p
Magnesium binding site 2 out of 5 in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg911

b:26.4
occ:1.00
 O A:HOH1260 2.3 21.0 1.0
O A:HOH1983 2.4 45.0 1.0
O A:HOH1831 2.5 34.5 1.0
O A:HOH1843 2.5 35.7 1.0
O A:HOH1750 2.5 39.5 1.0
O A:HOH1984 2.6 47.9 1.0
O A:HOH2466 4.0 34.2 1.0
OE2 A:GLU162 4.2 19.8 1.0
O A:LEU85 4.3 13.7 1.0
OD1 A:ASN84 4.3 12.3 0.4
O A:HOH1888 4.5 32.4 1.0
OE1 A:GLU162 4.5 23.6 1.0
O A:HOH1182 4.6 15.5 1.0
O A:HOH1987 4.6 30.9 1.0
CD A:PRO87 4.6 10.3 1.0
CD A:GLU162 4.8 22.3 1.0

Magnesium binding site 3 out of 5 in 3l4p

Go back to Magnesium Binding Sites List in 3l4p
Magnesium binding site 3 out of 5 in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg912

b:23.9
occ:1.00
 O A:HOH1395 2.2 18.9 1.0
O A:HOH1708 2.3 25.0 1.0
O A:HOH1677 2.3 22.6 1.0
O A:HOH1900 2.4 33.8 1.0
O A:HOH1828 2.4 28.7 1.0
O A:HOH1710 2.5 29.3 1.0
O A:HOH1679 4.0 23.1 1.0
OD2 A:ASP826 4.0 11.7 0.5
O A:HOH2586 4.1 53.3 1.0
O A:HOH1478 4.1 24.5 1.0
OD1 A:ASP826 4.2 12.7 0.5
O A:HOH1292 4.2 15.9 1.0
O A:HOH1680 4.4 21.4 1.0
O A:HOH2585 4.5 46.3 1.0
O A:HOH1400 4.5 20.3 1.0
CG A:ASP826 4.5 8.2 0.5
CG A:GLU825 4.9 7.1 1.0

Magnesium binding site 4 out of 5 in 3l4p

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Magnesium binding site 4 out of 5 in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg913

b:9.9
occ:1.00
 OE2 A:GLU903 2.1 11.4 1.0
OE2 A:GLU899 2.1 10.3 1.0
O A:HOH1727 2.2 12.5 1.0
O A:HOH2813 2.2 13.7 1.0
O A:HOH1723 2.2 11.2 1.0
CD A:GLU903 3.1 17.1 1.0
CD A:GLU899 3.1 8.4 1.0
CG A:GLU899 3.5 9.6 1.0
CG A:GLU903 3.6 10.2 1.0
O A:HOH1667 4.0 25.3 1.0
O A:HOH1621 4.2 28.9 1.0
OE1 A:GLU903 4.2 28.5 1.0
OE1 A:GLU899 4.3 11.0 1.0
O A:HOH2251 4.5 36.0 1.0
O A:HOH1272 4.8 15.5 1.0

Magnesium binding site 5 out of 5 in 3l4p

Go back to Magnesium Binding Sites List in 3l4p
Magnesium binding site 5 out of 5 in the Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the Aldehyde Dehydrogenase (A.K.A. Aor or Mop) of Desulfovibrio Gigas Covalently Bound to [ASO3]- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg914

b:23.3
occ:1.00
 O A:HOH1337 2.3 13.1 1.0
O A:HOH1467 2.3 21.5 1.0
O A:HOH2611 2.3 28.3 1.0
O A:HOH1647 2.4 20.1 1.0
O A:HOH2612 2.4 33.2 1.0
O A:HOH1721 2.5 30.3 1.0
O A:HOH1548 4.0 24.9 1.0
O A:HOH2115 4.2 31.0 1.0
O A:HOH1300 4.2 14.4 1.0
O A:HOH1233 4.3 14.8 1.0
O A:HOH1534 4.3 21.9 1.0
OD1 A:ASP572 4.4 10.9 1.0
O A:HOH1505 4.4 24.6 1.0
ND2 A:ASN511 4.6 9.7 1.0
O A:HOH1707 4.8 30.5 1.0
O A:HOH1716 4.9 28.4 1.0
O A:HOH1869 5.0 32.2 1.0

Reference:

A.Thapper, D.R.Boer, C.D.Brondino, J.J.Moura, M.J.Romao. Correlating Epr and X-Ray Structural Analysis of Arsenite-Inhibited Forms of Aldehyde Oxidoreductase. J.Biol.Inorg.Chem. V. 12 353 2007.
ISSN: ISSN 0949-8257
PubMed: 17139522
DOI: 10.1007/S00775-006-0191-9
Page generated: Wed Aug 14 18:23:04 2024

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