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Iron in PDB 1sij: 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]-:
1.2.3.1;

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: 1sij was solved by D.R.Boer, A.Thapper, C.D.Brondino, M.J.Romao, J.J.G.Moura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.30
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 142.780, 142.780, 161.577, 90.00, 90.00, 120.00
R / Rfree (%) 18.1 / 22.3

Other elements in 1sij:

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
Magnesium (Mg) 2 atoms
Arsenic (As) 1 atom
Chlorine (Cl) 3 atoms

Iron Binding Sites:

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

Iron binding site 1 out of 4 in 1sij

Go back to Iron Binding Sites List in 1sij
Iron binding site 1 out of 4 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 Iron with other atoms in the Fe 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:Fe908

b:18.7
occ:1.00
 FE1 A:FES908 0.0 18.7 1.0
S2 A:FES908 2.2 19.1 1.0
S1 A:FES908 2.2 20.0 1.0
SG A:CYS100 2.3 19.6 1.0
SG A:CYS139 2.3 19.4 1.0
FE2 A:FES908 2.7 19.0 1.0
CB A:CYS139 3.1 19.3 1.0
CB A:CYS100 3.4 19.2 1.0
N A:CYS100 3.7 19.3 1.0
N A:GLY101 3.9 18.7 1.0
O A:HOH1017 4.0 15.1 1.0
CA A:CYS100 4.0 19.1 1.0
N A:CYS139 4.1 19.0 1.0
CA A:CYS139 4.2 19.2 1.0
C A:CYS100 4.3 18.7 1.0
SG A:CYS137 4.3 20.4 1.0
N A:PHE102 4.5 18.0 1.0
SG A:CYS103 4.6 20.2 1.0
CB A:GLN99 4.8 20.2 1.0
N A:ARG138 4.8 19.8 1.0
C A:GLN99 4.9 19.9 1.0
CA A:GLY101 4.9 18.3 1.0

Iron binding site 2 out of 4 in 1sij

Go back to Iron Binding Sites List in 1sij
Iron binding site 2 out of 4 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 Iron with other atoms in the Fe 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:Fe908

b:19.0
occ:1.00
 FE2 A:FES908 0.0 19.0 1.0
S2 A:FES908 2.2 19.1 1.0
S1 A:FES908 2.2 20.0 1.0
SG A:CYS103 2.3 20.2 1.0
SG A:CYS137 2.3 20.4 1.0
FE1 A:FES908 2.7 18.7 1.0
CB A:CYS137 3.4 20.5 1.0
CB A:CYS103 3.4 19.7 1.0
CA A:CYS137 3.8 20.5 1.0
N A:ARG138 4.1 19.8 1.0
O A:HOH993 4.1 20.4 1.0
CB A:CYS139 4.2 19.3 1.0
N A:CYS103 4.3 19.3 1.0
N A:CYS139 4.3 19.0 1.0
C A:CYS137 4.4 20.3 1.0
SG A:CYS139 4.4 19.4 1.0
CA A:CYS103 4.4 19.7 1.0
SG A:CYS100 4.6 19.6 1.0
CG2 A:THR140 4.6 19.3 1.0
CA A:CYS139 4.9 19.2 1.0
O A:ALA136 4.9 21.1 1.0

Iron binding site 3 out of 4 in 1sij

Go back to Iron Binding Sites List in 1sij
Iron binding site 3 out of 4 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 Iron with other atoms in the Fe 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:Fe909

b:25.2
occ:1.00
 FE1 A:FES909 0.0 25.2 1.0
S1 A:FES909 2.2 25.5 1.0
S2 A:FES909 2.2 25.6 1.0
SG A:CYS40 2.3 25.7 1.0
SG A:CYS45 2.3 24.3 1.0
FE2 A:FES909 2.8 24.6 1.0
CB A:CYS45 3.3 23.7 1.0
N A:CYS45 3.5 24.3 1.0
N A:CYS40 3.5 24.6 1.0
CB A:CYS40 3.6 24.9 1.0
CA A:CYS45 3.8 23.9 1.0
N A:GLY46 3.9 23.0 1.0
N A:GLU41 3.9 26.0 1.0
CA A:CYS40 4.0 25.2 1.0
C A:CYS45 4.2 23.5 1.0
N A:GLN44 4.2 25.5 1.0
C A:CYS40 4.4 25.2 1.0
SG A:CYS60 4.4 26.0 1.0
N A:ALA47 4.4 22.4 1.0
N A:GLY39 4.4 23.3 1.0
C A:GLY39 4.5 24.1 1.0
N A:GLY43 4.5 26.2 1.0
C A:GLN44 4.6 24.9 1.0
SG A:CYS48 4.6 23.9 1.0
N A:GLN42 4.7 26.8 1.0
CA A:GLY39 4.7 23.7 1.0
CA A:GLU41 4.8 26.8 1.0
CA A:GLY43 4.9 26.1 1.0
C A:GLY43 4.9 25.9 1.0
CB A:ALA47 4.9 22.1 1.0
CA A:GLY46 4.9 22.8 1.0
CA A:GLN44 4.9 25.2 1.0

Iron binding site 4 out of 4 in 1sij

Go back to Iron Binding Sites List in 1sij
Iron binding site 4 out of 4 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 Iron with other atoms in the Fe 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:Fe909

b:24.6
occ:1.00
 FE2 A:FES909 0.0 24.6 1.0
S2 A:FES909 2.2 25.6 1.0
S1 A:FES909 2.2 25.5 1.0
SG A:CYS48 2.3 23.9 1.0
SG A:CYS60 2.3 26.0 1.0
FE1 A:FES909 2.8 25.2 1.0
CB A:CYS60 3.2 25.4 1.0
CB A:CYS48 3.5 22.4 1.0
N A:CYS60 4.3 25.0 1.0
N A:GLY43 4.3 26.2 1.0
N A:CYS48 4.3 22.4 1.0
CA A:CYS60 4.3 25.5 1.0
CB A:ARG58 4.3 25.1 1.0
SG A:CYS40 4.4 25.7 1.0
CA A:GLY43 4.4 26.1 1.0
CA A:CYS48 4.5 22.6 1.0
CG A:ARG58 4.6 26.6 1.0
N A:GLU41 4.6 26.0 1.0
SG A:CYS45 4.7 24.3 1.0
CA A:GLU41 4.8 26.8 1.0
N A:GLY46 4.8 23.0 1.0
N A:GLN42 4.9 26.8 1.0
N A:ALA47 5.0 22.4 1.0

Reference:

D.R.Boer, A.Thapper, C.D.Brondino, M.J.Romao, J.J.G.Moura. X-Ray Crystal Structure and Epr Spectra of "Arsenite-Inhibited" Desulfovibriogigas Aldehyde Dehydrogenase: A Member of the Xanthine Oxidase Family J.Am.Chem.Soc. V. 126 8614 2004.
ISSN: ISSN 0002-7863
PubMed: 15250689
DOI: 10.1021/JA0490222
Page generated: Sat Aug 3 14:42:28 2024

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