Atomistry » Chlorine » PDB 1qhy-1quo » 1qjs
Atomistry »
  Chlorine »
    PDB 1qhy-1quo »
      1qjs »

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 Jul 20 01:36:05 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy