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Chlorine in PDB 1qjs: Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem

Protein crystallography data

The structure of Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem, PDB code: 1qjs was solved by M.Paoli, H.M.Baker, W.T.Morgan, A.Smith, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 103.900, 69.900, 151.810, 90.00, 108.16, 90.00
R / Rfree (%) 25.5 / 31.2

Other elements in 1qjs:

The structure of Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Sodium (Na) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem (pdb code 1qjs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem, PDB code: 1qjs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1qjs

Go back to Chlorine Binding Sites List in 1qjs
Chlorine binding site 1 out of 4 in the Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl511

b:26.7
occ:1.00
 NA A:NA513 3.1 32.4 1.0
N A:ALA168 3.4 33.5 1.0
CA A:SER167 3.5 34.5 1.0
N A:ALA77 3.6 29.7 1.0
N A:THR36 3.7 41.0 1.0
CB A:SER167 3.7 23.1 1.0
N A:ALA123 3.7 35.3 1.0
CA A:ALA35 3.7 39.0 1.0
CA A:ALA122 3.7 37.1 1.0
O A:ALA168 3.8 28.6 1.0
O A:ALA77 3.8 31.9 1.0
CB A:ALA35 3.8 35.2 1.0
CA A:ALA76 3.9 30.7 1.0
O A:THR36 4.0 33.7 1.0
C A:SER167 4.0 35.1 1.0
O A:ALA123 4.0 34.0 1.0
CB A:ALA122 4.0 42.6 1.0
C A:ALA122 4.2 36.1 1.0
C A:ALA35 4.2 40.3 1.0
C A:ALA76 4.2 31.4 1.0
OG1 A:THR36 4.3 17.6 1.0
CB A:ALA76 4.5 27.7 1.0
CA A:ALA168 4.5 31.1 1.0
O A:ASP34 4.5 37.9 1.0
O A:ASP121 4.6 40.2 1.0
C A:ALA168 4.6 31.4 1.0
O A:ASP75 4.6 33.7 1.0
CA A:ALA77 4.6 29.8 1.0
C A:ALA77 4.7 31.5 1.0
CA A:THR36 4.8 35.1 1.0
CA A:ALA123 4.8 34.7 1.0
C A:ALA123 4.8 34.0 1.0
C A:THR36 4.8 35.1 1.0
N A:SER167 4.8 34.7 1.0
N A:ALA122 4.9 38.1 1.0
N A:ALA35 4.9 39.8 1.0
CB A:ALA77 5.0 18.2 1.0
OG A:SER167 5.0 38.4 1.0
CB A:ALA168 5.0 46.2 1.0
O A:THR166 5.0 35.3 1.0

Chlorine binding site 2 out of 4 in 1qjs

Go back to Chlorine Binding Sites List in 1qjs
Chlorine binding site 2 out of 4 in the Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl521

b:20.4
occ:1.00
 NA A:NA522 2.9 26.0 1.0
N A:ALA336 3.2 29.7 1.0
N A:ALA379 3.4 22.5 1.0
N A:ALA284 3.6 28.8 1.0
CA A:ALA335 3.6 28.2 1.0
O A:ALA336 3.6 33.9 1.0
O A:ALA379 3.6 24.3 1.0
O A:ALA284 3.8 22.1 1.0
C A:ALA335 3.8 28.8 1.0
N A:MET239 3.8 26.0 1.0
CA A:ALA283 3.9 30.1 1.0
CA A:GLY378 3.9 24.9 1.0
CA A:ALA238 3.9 23.3 1.0
C A:GLY378 4.1 22.9 1.0
CB A:ALA335 4.1 32.7 1.0
O A:MET239 4.2 25.4 1.0
C A:ALA283 4.2 28.8 1.0
CA A:ALA336 4.2 28.4 1.0
C A:ALA336 4.3 27.9 1.0
C A:ALA238 4.4 25.1 1.0
CB A:ALA283 4.4 18.2 1.0
CB A:ALA238 4.4 12.8 1.0
CA A:ALA379 4.4 24.3 1.0
C A:ALA379 4.5 26.7 1.0
CB A:ALA336 4.5 21.9 1.0
C A:ALA284 4.5 25.5 1.0
CA A:ALA284 4.6 26.3 1.0
O A:ASP334 4.6 29.0 1.0
O A:ASP282 4.6 21.7 1.0
O A:SER237 4.8 27.7 1.0
N A:ALA335 4.8 30.0 1.0
CB A:ALA379 4.8 20.0 1.0
CA A:MET239 4.9 22.4 1.0
O A:ALA335 4.9 28.9 1.0
C A:MET239 5.0 24.9 1.0
N A:ALA283 5.0 30.7 1.0
CB A:ALA284 5.0 33.6 1.0

Chlorine binding site 3 out of 4 in 1qjs

Go back to Chlorine Binding Sites List in 1qjs
Chlorine binding site 3 out of 4 in the Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl511

b:26.7
occ:1.00
 NA B:NA513 3.1 32.4 1.0
N B:ALA168 3.4 33.8 1.0
CA B:SER167 3.5 34.0 1.0
CA B:ALA35 3.6 38.6 1.0
N B:THR36 3.6 41.0 1.0
CB B:SER167 3.6 27.3 1.0
N B:ALA77 3.7 29.5 1.0
CA B:ALA122 3.7 36.8 1.0
CB B:ALA35 3.7 29.3 1.0
N B:ALA123 3.8 34.6 1.0
O B:ALA168 3.9 28.6 1.0
O B:ALA77 3.9 31.1 1.0
CA B:ALA76 3.9 29.8 1.0
C B:SER167 3.9 34.4 1.0
O B:THR36 4.0 33.3 1.0
CB B:ALA122 4.0 30.4 1.0
O B:ALA123 4.1 33.7 1.0
C B:ALA35 4.1 40.1 1.0
C B:ALA76 4.2 31.0 1.0
C B:ALA122 4.2 35.6 1.0
OG1 B:THR36 4.3 26.1 1.0
O B:ASP34 4.4 38.0 1.0
CB B:ALA76 4.5 10.8 1.0
O B:ASP121 4.5 40.0 1.0
CA B:ALA168 4.5 31.3 1.0
O B:ASP75 4.6 33.8 1.0
C B:ALA168 4.6 31.4 1.0
CA B:ALA77 4.7 29.3 1.0
C B:ALA77 4.7 30.7 1.0
CA B:THR36 4.7 35.2 1.0
N B:SER167 4.8 34.6 1.0
C B:THR36 4.8 35.0 1.0
CA B:ALA123 4.8 34.1 1.0
N B:ALA35 4.9 39.9 1.0
N B:ALA122 4.9 38.1 1.0
O B:THR166 4.9 34.5 1.0
C B:ALA123 4.9 33.4 1.0
OG B:SER167 4.9 28.2 1.0
CB B:ALA77 5.0 12.5 1.0

Chlorine binding site 4 out of 4 in 1qjs

Go back to Chlorine Binding Sites List in 1qjs
Chlorine binding site 4 out of 4 in the Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mammalian Blood Serum Haemopexin Glycosylated-Native Protein and in Complex with Its Ligand Haem within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl521

b:20.4
occ:1.00
 NA B:NA522 2.9 26.0 1.0
N B:ALA336 3.2 29.7 1.0
N B:ALA379 3.4 22.7 1.0
CA B:ALA335 3.6 27.8 1.0
N B:ALA284 3.6 29.0 1.0
O B:ALA379 3.6 24.6 1.0
O B:ALA336 3.6 34.1 1.0
C B:ALA335 3.8 28.4 1.0
O B:ALA284 3.8 22.6 1.0
CA B:ALA283 3.8 30.4 1.0
CA B:GLY378 3.8 24.8 1.0
N B:MET239 3.9 25.7 1.0
CA B:ALA238 3.9 23.7 1.0
C B:GLY378 4.1 23.0 1.0
CB B:ALA335 4.1 22.9 1.0
O B:MET239 4.2 25.5 1.0
C B:ALA283 4.2 28.6 1.0
CA B:ALA336 4.2 28.1 1.0
CB B:ALA283 4.3 26.9 1.0
C B:ALA336 4.3 27.8 1.0
CA B:ALA379 4.4 24.5 1.0
C B:ALA238 4.4 24.9 1.0
CB B:ALA238 4.4 22.3 1.0
C B:ALA379 4.4 26.8 1.0
CB B:ALA336 4.5 18.2 1.0
C B:ALA284 4.5 25.4 1.0
CA B:ALA284 4.6 26.2 1.0
O B:ASP334 4.6 29.5 1.0
O B:ASP282 4.6 21.9 1.0
N B:ALA335 4.8 29.8 1.0
O B:SER237 4.8 26.7 1.0
CB B:ALA379 4.8 10.5 1.0
O B:ALA335 4.9 28.9 1.0
CA B:MET239 4.9 22.5 1.0
N B:ALA283 5.0 31.2 1.0
C B:MET239 5.0 24.8 1.0
CB B:ALA284 5.0 22.1 1.0

Reference:

M.Paoli, B.F.Anderson, H.M.Baker, W.T.Morgan, A.Smith, E.N.Baker. Crystal Structure of Hemopexin Reveals A Novel High-Affinity Heme Site Formed Between Two Beta-Propeller Domains. Nat.Struct.Biol. V. 6 926 1999.
ISSN: ISSN 1072-8368
PubMed: 10504726
DOI: 10.1038/13294
Page generated: Sat Dec 12 08:47:09 2020

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