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Chlorine 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
Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1sij

Go back to Chlorine Binding Sites List in 1sij
Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl916

b:32.0
occ:1.00
 NH1 A:ARG460 3.5 18.5 1.0
O A:HOH959 3.5 32.6 1.0
CG A:ARG460 3.5 18.8 1.0
NE2 A:GLN539 3.5 21.1 1.0
CA A:TYR535 3.6 19.3 1.0
N A:PHE532 3.7 19.2 1.0
CD1 A:LEU498 3.8 17.6 1.0
N A:GLY536 3.8 19.6 1.0
O A:PHE532 3.9 18.1 1.0
CD2 A:TYR535 4.0 19.7 1.0
C A:TYR535 4.1 19.4 1.0
N A:TYR535 4.2 19.3 1.0
CA A:ARG460 4.2 19.1 1.0
OE1 A:GLN539 4.2 21.9 1.0
CB A:PHE532 4.2 18.1 1.0
N A:SER461 4.3 18.8 1.0
CB A:ARG460 4.3 19.1 1.0
CD A:GLN539 4.3 21.6 1.0
CD2 A:LEU498 4.3 19.6 1.0
CA A:PHE532 4.4 18.2 1.0
CB A:TYR535 4.5 19.5 1.0
CZ A:ARG460 4.5 19.2 1.0
CD A:ARG460 4.5 19.2 1.0
C A:ALA531 4.6 19.7 1.0
O A:SER530 4.6 21.6 1.0
C A:PHE532 4.6 18.1 1.0
CA A:ALA531 4.6 19.9 1.0
CG A:LEU498 4.7 20.2 1.0
CG A:TYR535 4.7 19.7 1.0
C A:ARG460 4.8 18.8 1.0
CE2 A:TYR535 4.9 20.5 1.0
CA A:GLY536 4.9 19.5 1.0
NE A:ARG460 4.9 19.3 1.0

Chlorine binding site 2 out of 3 in 1sij

Go back to Chlorine Binding Sites List in 1sij
Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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:Cl918

b:29.8
occ:1.00
 N A:TYR892 3.2 23.6 1.0
N A:ARG893 3.3 22.5 1.0
CA A:TYR892 3.9 23.2 1.0
CB A:TYR892 3.9 23.0 1.0
CB A:ARG893 4.0 22.0 1.0
CG A:ARG893 4.0 21.1 1.0
C A:ILE891 4.1 23.6 1.0
CA A:ILE891 4.1 23.8 1.0
C A:TYR892 4.1 22.9 1.0
CG2 A:ILE891 4.1 23.7 1.0
CA A:ARG893 4.2 22.2 1.0
CD2 A:TYR892 4.3 24.3 1.0
O A:ARG893 4.4 22.5 1.0
CD A:LYS900 4.4 27.8 1.0
CD1 A:ILE891 4.5 24.2 1.0
CG A:TYR892 4.7 24.3 1.0
CB A:ILE891 4.7 23.8 1.0
CD A:ARG893 4.7 20.5 1.0
O A:ARG890 4.7 24.5 1.0
C A:ARG893 4.8 22.2 1.0
CG A:LYS900 4.9 26.4 1.0
O A:HOH1210 5.0 20.4 1.0

Chlorine binding site 3 out of 3 in 1sij

Go back to Chlorine Binding Sites List in 1sij
Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl 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:Cl920

b:28.7
occ:1.00
 N A:GLU899 3.4 25.0 1.0
CD A:PRO898 3.6 24.2 1.0
CB A:GLU899 3.7 25.0 1.0
N A:PRO898 3.9 24.3 1.0
CB A:TYR897 4.0 24.0 1.0
CB A:PRO898 4.0 24.5 1.0
CG A:PRO898 4.1 24.6 1.0
CA A:GLU899 4.2 25.1 1.0
C A:PRO898 4.3 24.7 1.0
CA A:PRO898 4.3 24.4 1.0
C A:TYR897 4.5 24.0 1.0
CG A:TYR897 4.6 24.8 1.0
CA A:TYR897 4.7 24.1 1.0
CD2 A:TYR897 4.9 25.3 1.0
OE1 A:GLU899 4.9 25.4 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 Dec 12 08:49:08 2020

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