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Chlorine in PDB 1vlb: Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A

Enzymatic activity of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A

All present enzymatic activity of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A:
1.2.3.1;

Protein crystallography data

The structure of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A, PDB code: 1vlb was solved by J.M.Rebelo, J.M.Dias, R.Huber, J.J.G.Moura, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.40 / 1.28
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 141.780, 141.780, 160.870, 90.00, 90.00, 120.00
R / Rfree (%) 14.8 / 19.3

Other elements in 1vlb:

The structure of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A also contains other interesting chemical elements:

Molybdenum (Mo) 1 atom
Magnesium (Mg) 2 atoms
Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A (pdb code 1vlb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A, PDB code: 1vlb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1vlb

Go back to Chlorine Binding Sites List in 1vlb
Chlorine binding site 1 out of 3 in the Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl916

b:22.5
occ:1.00
O A:HOH4197 3.3 20.4 1.0
NH1 A:ARG460 3.4 17.6 1.0
NE2 A:GLN539 3.4 18.1 1.0
CA A:TYR535 3.5 16.7 1.0
CG A:ARG460 3.7 17.4 1.0
O A:PHE532 3.7 15.8 1.0
N A:GLY536 3.7 16.7 1.0
N A:PHE532 3.7 15.8 1.0
CD1 A:LEU498 3.9 19.7 1.0
CD2 A:TYR535 4.1 17.1 1.0
C A:TYR535 4.1 16.5 1.0
N A:TYR535 4.1 16.9 1.0
OE1 A:GLN539 4.1 17.5 1.0
CA A:ARG460 4.2 16.0 1.0
CD A:GLN539 4.2 17.9 1.0
N A:SER461 4.3 16.5 1.0
CD2 A:LEU498 4.3 16.6 1.0
CB A:ARG460 4.3 15.8 1.0
CB A:PHE532 4.3 16.5 1.0
CA A:PHE532 4.4 15.8 1.0
CB A:TYR535 4.5 15.3 1.0
CZ A:ARG460 4.5 16.4 1.0
C A:PHE532 4.6 14.6 1.0
C A:ALA531 4.6 14.8 1.0
CA A:ALA531 4.6 15.7 1.0
CD A:ARG460 4.6 16.6 1.0
O A:SER530 4.6 17.8 1.0
CG A:TYR535 4.7 15.3 1.0
C A:ARG460 4.8 15.6 1.0
CG A:LEU498 4.8 15.9 1.0
CA A:GLY536 4.9 16.8 1.0
NE A:ARG460 4.9 17.2 1.0
CE2 A:TYR535 5.0 15.3 1.0

Chlorine binding site 2 out of 3 in 1vlb

Go back to Chlorine Binding Sites List in 1vlb
Chlorine binding site 2 out of 3 in the Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl918

b:26.9
occ:1.00
O A:HOH4194 3.0 30.6 1.0
O A:HOH5012 3.0 45.9 1.0
O A:HOH4423 3.2 32.4 1.0
N A:TYR892 3.2 20.1 1.0
N A:ARG893 3.3 17.8 1.0
CB A:ARG893 3.8 20.6 1.0
CG A:ARG893 3.9 19.4 1.0
CA A:TYR892 3.9 20.6 1.0
CB A:TYR892 4.0 18.8 1.0
C A:TYR892 4.1 24.5 1.0
C A:ILE891 4.1 18.8 1.0
CA A:ARG893 4.1 20.1 1.0
CA A:ILE891 4.1 19.8 1.0
CG2 A:ILE891 4.2 25.3 1.0
CD A:LYS900 4.2 23.8 1.0
O A:ARG893 4.3 21.7 1.0
CD2 A:TYR892 4.4 22.7 1.0
CD A:ARG893 4.5 21.1 1.0
CD1 A:ILE891 4.6 28.5 1.0
CG A:LYS900 4.6 24.1 1.0
CG A:TYR892 4.7 20.4 1.0
O A:HOH4422 4.7 33.8 1.0
C A:ARG893 4.7 19.6 1.0
CB A:ILE891 4.7 22.5 1.0
O A:HOH4419 4.8 28.4 1.0
O A:ARG890 4.8 27.5 1.0
O A:HOH5153 4.9 44.5 1.0
CE A:LYS900 5.0 24.7 1.0

Chlorine binding site 3 out of 3 in 1vlb

Go back to Chlorine Binding Sites List in 1vlb
Chlorine binding site 3 out of 3 in the Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas at 1.28 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl920

b:21.8
occ:1.00
O A:HOH4546 2.9 45.2 1.0
O A:HOH4410 3.0 31.8 1.0
N A:GLU899 3.2 19.0 1.0
O A:HOH5009 3.4 38.2 1.0
CD A:PRO898 3.6 21.5 1.0
CB A:GLU899 3.7 18.5 1.0
N A:PRO898 3.7 19.4 1.0
CB A:TYR897 3.8 20.3 1.0
CB A:PRO898 4.1 19.8 1.0
CA A:GLU899 4.1 20.3 1.0
C A:PRO898 4.2 20.4 1.0
CA A:PRO898 4.2 20.3 1.0
C A:TYR897 4.2 18.6 1.0
CG A:PRO898 4.3 23.3 1.0
CA A:TYR897 4.5 19.8 1.0
CG A:TYR897 4.5 19.9 1.0
CD2 A:TYR897 4.9 22.9 1.0
OE1 A:GLU899 4.9 20.5 1.0
O A:HOH5008 4.9 35.5 1.0
O A:HOH4797 5.0 39.5 1.0
O A:TYR897 5.0 20.3 1.0

Reference:

J.M.Rebelo, J.M.Dias, R.Huber, J.J.G.Moura, M.J.Romao. Structure Refinement of the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop) at 1.28 A J.Biol.Inorg.Chem. V. 6 791 2001.
ISSN: ISSN 0949-8257
PubMed: 11713686
DOI: 10.1007/S007750100255
Page generated: Sat Jul 20 03:04:59 2024

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