Atomistry » Iron » PDB 1sdl-1stq » 1sij
Atomistry »
  Iron »
    PDB 1sdl-1stq »
      1sij »

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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy