Atomistry » Chlorine » PDB 3l2h-3lcc » 3l4p
Atomistry »
  Chlorine »
    PDB 3l2h-3lcc »
      3l4p »

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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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

Go back to Chlorine Binding Sites List in 3l4p
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 Jul 20 23:10:28 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy