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Iron 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
Magnesium (Mg) 5 atoms
Arsenic (As) 1 atom
Calcium (Ca) 1 atom
Chlorine (Cl) 9 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 3l4p). 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: 3l4p:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3l4p

Go back to Iron Binding Sites List in 3l4p
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:6.6
occ:1.00
 FE1 A:FES908 0.0 6.6 1.0
S2 A:FES908 2.2 6.8 1.0
S1 A:FES908 2.2 6.6 1.0
SG A:CYS100 2.3 5.8 1.0
SG A:CYS139 2.3 7.1 1.0
FE2 A:FES908 2.7 6.8 1.0
CB A:CYS139 3.3 5.3 1.0
CB A:CYS100 3.4 5.9 1.0
N A:CYS100 3.7 5.2 1.0
O A:HOH1015 3.9 7.2 1.0
CA A:CYS100 3.9 5.7 1.0
N A:GLY101 3.9 4.9 1.0
N A:CYS139 4.1 5.6 1.0
CA A:CYS139 4.3 6.1 1.0
C A:CYS100 4.3 6.1 1.0
SG A:CYS137 4.3 6.1 1.0
N A:PHE102 4.4 4.9 1.0
SG A:CYS103 4.6 6.8 1.0
C A:GLN99 4.8 5.6 1.0
CB A:GLN99 4.8 4.3 1.0
N A:ARG138 4.9 5.3 1.0
N A:CYS103 4.9 5.6 1.0
CA A:GLY101 4.9 5.9 1.0

Iron binding site 2 out of 4 in 3l4p

Go back to Iron Binding Sites List in 3l4p
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:6.8
occ:1.00
 FE2 A:FES908 0.0 6.8 1.0
S2 A:FES908 2.2 6.8 1.0
S1 A:FES908 2.2 6.6 1.0
SG A:CYS103 2.3 6.8 1.0
SG A:CYS137 2.4 6.1 1.0
FE1 A:FES908 2.7 6.6 1.0
CB A:CYS137 3.4 6.7 1.0
CB A:CYS103 3.4 5.2 1.0
CA A:CYS137 3.8 7.0 1.0
O A:HOH991 4.1 7.3 1.0
N A:ARG138 4.2 5.3 1.0
N A:CYS103 4.2 5.6 1.0
CB A:CYS139 4.3 5.3 1.0
N A:CYS139 4.3 5.6 1.0
CA A:CYS103 4.4 5.8 1.0
SG A:CYS139 4.4 7.1 1.0
C A:CYS137 4.4 6.8 1.0
CG2 A:THR140 4.5 6.9 1.0
SG A:CYS100 4.6 5.8 1.0
O A:ALA136 4.8 7.0 1.0
CA A:CYS139 4.9 6.1 1.0

Iron binding site 3 out of 4 in 3l4p

Go back to Iron Binding Sites List in 3l4p
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:8.7
occ:1.00
 FE1 A:FES909 0.0 8.7 1.0
S1 A:FES909 2.2 8.8 1.0
S2 A:FES909 2.2 8.5 1.0
SG A:CYS45 2.3 8.2 1.0
SG A:CYS40 2.4 10.1 1.0
FE2 A:FES909 2.7 8.7 1.0
CB A:CYS45 3.4 6.5 1.0
N A:CYS45 3.5 8.3 1.0
N A:CYS40 3.5 6.9 1.0
CB A:CYS40 3.6 8.1 1.0
N A:GLU41 3.8 8.9 1.0
CA A:CYS45 3.8 8.1 1.0
N A:GLY46 3.9 7.0 1.0
CA A:CYS40 4.0 8.2 1.0
C A:CYS45 4.2 8.0 1.0
N A:GLN44 4.2 8.9 1.0
SG A:CYS60 4.3 9.3 1.0
C A:CYS40 4.3 10.7 1.0
N A:ALA47 4.4 6.4 1.0
N A:GLY43 4.4 9.7 1.0
N A:GLY39 4.4 7.1 1.0
C A:GLY39 4.5 8.9 1.0
N A:GLN42 4.6 9.8 1.0
C A:GLN44 4.6 9.8 1.0
SG A:CYS48 4.6 8.0 1.0
CA A:GLU41 4.7 10.4 1.0
CA A:GLY39 4.7 7.5 1.0
O A:HOH1321 4.8 14.4 1.0
CA A:GLY43 4.8 9.5 1.0
C A:GLY43 4.8 10.5 1.0
CB A:ALA47 4.9 7.1 1.0
CA A:GLY46 4.9 7.4 1.0
CA A:GLN44 4.9 9.0 1.0

Iron binding site 4 out of 4 in 3l4p

Go back to Iron Binding Sites List in 3l4p
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:8.7
occ:1.00
 FE2 A:FES909 0.0 8.7 1.0
S1 A:FES909 2.2 8.8 1.0
S2 A:FES909 2.2 8.5 1.0
SG A:CYS60 2.3 9.3 1.0
SG A:CYS48 2.3 8.0 1.0
FE1 A:FES909 2.7 8.7 1.0
CB A:CYS60 3.2 7.3 1.0
CB A:CYS48 3.5 7.5 1.0
N A:CYS60 4.2 8.3 1.0
N A:CYS48 4.2 7.8 1.0
CA A:CYS60 4.3 9.2 1.0
N A:GLY43 4.3 9.7 1.0
CB A:ARG58 4.3 8.8 1.0
SG A:CYS40 4.4 10.1 1.0
CG A:ARG58 4.5 8.8 0.8
CA A:CYS48 4.5 7.2 1.0
CA A:GLY43 4.5 9.5 1.0
SG A:CYS45 4.6 8.2 1.0
N A:GLU41 4.6 8.9 1.0
CA A:GLU41 4.7 10.4 1.0
CG A:ARG58 4.8 4.4 0.2
N A:GLN42 4.9 9.8 1.0
N A:GLY46 4.9 7.0 1.0
N A:ALA47 4.9 6.4 1.0
CD A:ARG58 4.9 17.6 0.2

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: Sun Aug 4 14:05:17 2024

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