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Chlorine 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
Iron (Fe) 4 atoms
Calcium (Ca) 1 atom

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 3l4p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 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: 3l4p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3l4p

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Chlorine binding site 1 out of 9 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:21.0
occ:1.00
 O A:HOH2296 2.8 31.4 1.0
OG1 A:THR259 2.9 11.1 1.0
O A:HOH1438 3.0 26.1 1.0
N A:THR259 3.3 10.8 1.0
CD A:PRO258 3.5 11.5 1.0
CG2 A:THR259 3.6 12.2 1.0
CB A:THR259 3.7 10.2 1.0
CB A:ALA755 3.7 13.9 1.0
CB A:PHE257 3.7 7.6 1.0
N A:PRO258 3.7 9.4 1.0
CA A:THR259 4.0 9.8 1.0
CD2 A:PHE257 4.1 11.0 1.0
CG A:PRO258 4.2 16.3 1.0
CB A:PRO258 4.2 13.4 1.0
O A:HOH1157 4.2 14.7 1.0
C A:PHE257 4.2 7.6 1.0
C A:PRO258 4.2 12.1 1.0
CA A:PRO258 4.3 8.5 1.0
CG A:PHE257 4.3 8.3 1.0
CA A:PHE257 4.4 8.1 1.0
O A:HOH1347 4.4 20.1 1.0
O A:HOH1542 4.5 33.8 1.0
CE1 A:PHE333 4.6 7.9 1.0
CA A:ALA755 4.7 12.9 1.0
O A:HOH2256 4.8 8.0 1.0
C A:THR259 5.0 9.1 1.0
O A:PHE257 5.0 9.2 1.0

Chlorine binding site 2 out of 9 in 3l4p

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Chlorine binding site 2 out of 9 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:Cl917

b:23.7
occ:1.00
 O A:HOH1765 3.0 31.6 1.0
O A:HOH1331 3.0 19.1 1.0
N A:LYS179 3.0 9.8 1.0
O A:HOH2508 3.2 37.7 1.0
CB A:SER178 3.5 9.3 1.0
O A:HOH1829 3.6 34.8 1.0
CE1 A:PHE167 3.6 13.7 1.0
CA A:SER178 3.7 7.8 1.0
CZ A:PHE167 3.8 15.3 1.0
CB A:LYS179 3.8 9.1 1.0
C A:SER178 3.8 7.7 1.0
CG A:PRO170 3.9 18.6 0.6
CA A:LYS179 3.9 8.2 1.0
CG A:LYS179 4.3 10.1 1.0
OG A:SER178 4.4 10.0 1.0
O A:HOH1061 4.5 15.4 1.0
C A:LYS179 4.6 9.9 1.0
CB A:PRO170 4.8 27.1 0.6
O A:HOH2509 4.8 41.9 1.0
N A:TYR180 4.8 8.2 1.0
CD1 A:PHE167 4.8 13.4 1.0
CG A:PRO170 4.8 21.3 0.4
CD A:PRO170 4.9 22.8 0.6
CD A:LYS179 4.9 9.0 1.0
O A:HOH1320 5.0 14.4 1.0

Chlorine binding site 3 out of 9 in 3l4p

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Chlorine binding site 3 out of 9 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:Cl918

b:24.2
occ:1.00
 NH1 A:ARG123 3.2 12.1 1.0
CG A:MET150 3.7 11.0 1.0
CB A:MET150 3.7 9.4 1.0
CD A:ARG123 3.8 11.3 1.0
O A:HOH1007 3.9 19.4 1.0
CG A:ARG123 4.1 10.4 1.0
CE A:MET150 4.2 13.3 1.0
CZ A:ARG123 4.3 11.4 1.0
NE A:ARG123 4.5 11.9 1.0
SD A:MET150 4.8 11.8 1.0

Chlorine binding site 4 out of 9 in 3l4p

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Chlorine binding site 4 out of 9 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 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:Cl919

b:12.1
occ:1.00
 O A:HOH1664 3.1 22.6 1.0
O A:HOH1358 3.2 15.7 1.0
O A:HOH1390 3.2 23.4 1.0
N A:TYR892 3.2 7.3 1.0
N A:ARG893 3.3 7.0 1.0
CB A:ARG893 3.9 6.4 1.0
CA A:TYR892 3.9 5.8 1.0
CB A:TYR892 4.0 6.2 1.0
CG A:ARG893 4.0 7.2 1.0
CG2 A:ILE891 4.1 9.3 1.0
CA A:ILE891 4.1 7.2 1.0
C A:ILE891 4.1 6.2 1.0
C A:TYR892 4.1 8.7 1.0
CA A:ARG893 4.2 8.4 1.0
CD A:LYS900 4.3 10.4 1.0
O A:ARG893 4.3 8.4 1.0
CD2 A:TYR892 4.4 8.7 1.0
O A:HOH1369 4.5 20.1 1.0
CD1 A:ILE891 4.6 12.2 1.0
CD A:ARG893 4.6 8.3 1.0
O A:HOH2728 4.6 39.5 1.0
CB A:ILE891 4.7 8.0 1.0
O A:HOH2733 4.7 36.6 1.0
CG A:TYR892 4.7 8.4 1.0
C A:ARG893 4.7 6.2 1.0
CG A:LYS900 4.7 10.4 1.0
O A:ARG890 4.8 10.7 1.0
O A:HOH2732 4.9 43.8 1.0

Chlorine binding site 5 out of 9 in 3l4p

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Chlorine binding site 5 out of 9 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 5 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:11.5
occ:1.00
 O A:HOH1676 3.3 20.1 1.0
O A:HOH1523 3.3 21.5 1.0
O A:HOH1359 3.3 18.7 1.0
N A:GLU899 3.3 8.6 1.0
CD A:PRO898 3.7 9.1 1.0
CB A:GLU899 3.8 9.4 1.0
N A:PRO898 3.8 7.3 1.0
CB A:TYR897 3.9 7.9 1.0
CB A:PRO898 4.1 9.3 1.0
CA A:GLU899 4.1 8.7 1.0
C A:PRO898 4.2 11.2 1.0
CA A:PRO898 4.3 7.3 1.0
CG A:PRO898 4.3 11.9 1.0
C A:TYR897 4.4 7.4 1.0
CA A:TYR897 4.6 9.1 1.0
CG A:TYR897 4.6 10.3 1.0
O A:HOH1485 4.8 25.4 1.0
OE1 A:GLU899 4.9 11.0 1.0
O A:HOH1861 4.9 30.9 1.0
CD1 A:TYR897 4.9 11.8 1.0

Chlorine binding site 6 out of 9 in 3l4p

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Chlorine binding site 6 out of 9 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 6 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:Cl921

b:25.8
occ:1.00
 N A:ASP474 3.3 10.3 1.0
N A:LYS473 3.7 10.1 1.0
CB A:ASP474 3.7 9.1 1.0
CG A:ASP474 3.8 14.8 1.0
CB A:LYS472 3.8 9.8 1.0
CB A:LYS473 3.8 9.5 1.0
CA A:LYS473 4.0 8.0 1.0
OD2 A:ASP351 4.0 9.8 1.0
C A:LYS473 4.0 12.1 1.0
OD1 A:ASP474 4.0 12.8 1.0
CA A:ASP474 4.1 11.7 1.0
OD2 A:ASP474 4.1 20.0 1.0
C A:LYS472 4.3 8.8 1.0
CD A:LYS472 4.5 14.1 1.0
CA A:LYS472 4.6 7.8 1.0
CG A:LYS473 4.7 12.9 1.0
CG A:LYS472 4.7 14.7 1.0

Chlorine binding site 7 out of 9 in 3l4p

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Chlorine binding site 7 out of 9 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 7 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:Cl923

b:38.1
occ:1.00
 N A:MET1 3.1 13.8 1.0
N A:ALA19 3.2 11.8 1.0
CA A:MET1 3.4 11.7 1.0
O A:HOH2001 3.6 34.0 1.0
CB A:ALA19 3.8 15.7 1.0
C A:MET1 3.8 8.0 1.0
OD1 A:ASP18 3.9 16.7 0.8
CA A:ASP18 3.9 10.9 1.0
C A:ASP18 4.1 11.4 1.0
CA A:ALA19 4.1 12.1 1.0
O A:HOH2520 4.2 44.3 1.0
N A:ILE2 4.2 10.0 1.0
CG2 A:ILE2 4.2 15.3 0.4
O A:VAL17 4.3 12.7 1.0
O A:HOH2518 4.3 39.1 1.0
O A:MET1 4.3 10.6 1.0
CG A:ASP18 4.4 20.3 0.8
OD1 A:ASP18 4.5 29.1 0.2
CG1 A:ILE2 4.7 8.9 0.4
O A:HOH1635 4.7 28.0 1.0
CB A:ASP18 4.8 12.6 1.0
CB A:MET1 4.8 11.2 1.0
CD1 A:ILE2 4.9 22.7 0.4
CB A:ILE2 4.9 6.2 0.4
N A:ASP18 5.0 10.0 1.0

Chlorine binding site 8 out of 9 in 3l4p

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Chlorine binding site 8 out of 9 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 8 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:Cl925

b:44.3
occ:1.00
 N A:GLY344 3.4 12.0 1.0
O A:HOH2110 3.4 46.2 1.0
N A:THR343 3.6 11.9 1.0
CB A:ASP342 3.7 9.8 0.9
O A:HOH2265 3.7 39.3 1.0
OG1 A:THR343 4.0 11.0 1.0
CA A:ASP342 4.0 9.6 0.8
C A:ASP342 4.1 14.3 1.0
CA A:GLY344 4.1 15.4 1.0
CG A:ASP342 4.2 22.1 0.6
O A:HOH1449 4.3 26.2 1.0
C A:THR343 4.4 10.1 1.0
CA A:THR343 4.4 8.8 1.0
CG A:ARG516 4.4 8.2 1.0
OD1 A:ASP342 4.6 20.1 0.7
CD A:PRO345 4.7 15.9 1.0
OD2 A:ASP342 4.7 21.4 0.7
CB A:THR343 4.9 11.2 1.0
OE2 A:GLU481 5.0 12.0 1.0
NE A:ARG516 5.0 10.0 1.0

Chlorine binding site 9 out of 9 in 3l4p

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Chlorine binding site 9 out of 9 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 9 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:Cl930

b:20.6
occ:0.50
 OD1 A:ASP826 1.1 10.6 0.5
O A:HOH2595 2.0 16.1 0.5
CG A:ASP826 2.0 10.3 0.5
O A:HOH2596 2.3 20.5 0.5
OD2 A:ASP826 2.5 14.0 0.5
N A:LYS828 3.1 10.9 1.0
N A:LYS829 3.4 8.4 1.0
CB A:ASP826 3.4 11.7 1.0
CB A:LYS828 3.4 15.1 1.0
CA A:LYS828 3.7 12.0 1.0
N A:ILE827 3.7 8.8 1.0
C A:ASP826 3.7 8.1 1.0
CG A:LYS829 3.8 11.3 1.0
CA A:ASP826 3.9 10.5 1.0
O A:HOH1209 4.0 17.7 1.0
C A:LYS828 4.0 9.0 1.0
O A:HOH1470 4.1 26.5 1.0
C A:ILE827 4.2 8.4 1.0
O A:ASP826 4.2 9.7 1.0
CG A:LYS828 4.2 19.0 1.0
CB A:LYS829 4.3 8.1 1.0
CA A:ILE827 4.4 10.1 1.0
CA A:LYS829 4.4 7.5 1.0
CG A:ASP826 4.4 8.2 0.5
CD A:LYS829 4.5 12.9 1.0
O A:HOH2406 4.5 41.5 1.0
CD A:LYS828 4.6 26.6 1.0
CE A:LYS829 4.6 18.1 1.0
CB A:ILE827 4.9 8.8 1.0

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: Sat Dec 12 09:52:26 2020

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