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Chlorine in PDB 6hcd: Structure of Universal Stress Protein From Archaeoglobus Fulgidus

Protein crystallography data

The structure of Structure of Universal Stress Protein From Archaeoglobus Fulgidus, PDB code: 6hcd was solved by I.A.Shumilin, J.I.Loch, M.Cymborowski, X.Xu, A.Edwards, R.Di Leo, I.G.Shabalin, A.Joachimiak, A.Savchenko, W.Minor, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.01 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.174, 99.158, 57.387, 90.00, 92.38, 90.00
R / Rfree (%) 16.7 / 20.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus (pdb code 6hcd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus, PDB code: 6hcd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6hcd

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Chlorine binding site 1 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.9
occ:1.00
 O A:HOH327 2.7 22.8 1.0
N A:PHE115 3.3 16.4 1.0
CD2 A:PHE115 3.4 18.4 1.0
NH2 B:ARG120 3.5 31.0 1.0
CA A:ILE114 3.8 20.3 1.0
NH1 B:ARG120 4.0 26.9 1.0
C A:ILE114 4.1 16.5 1.0
CB A:PHE115 4.2 14.6 1.0
CB A:ILE114 4.3 29.1 1.0
CZ B:ARG120 4.3 45.1 1.0
CG A:PHE115 4.3 15.0 1.0
CA A:PHE115 4.3 14.3 1.0
CE2 A:PHE115 4.3 25.8 1.0
CD A:ARG120 4.6 34.7 1.0
CG2 A:ILE114 4.6 21.8 1.0
O A:LEU113 4.7 17.6 1.0
N A:GLY116 4.7 15.6 1.0
NE A:ARG120 4.7 42.4 1.0
CG A:ARG120 4.9 22.2 1.0
CD1 B:LEU124 5.0 34.2 1.0

Chlorine binding site 2 out of 9 in 6hcd

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Chlorine binding site 2 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:36.4
occ:1.00
 N A:SER117 3.2 19.5 1.0
CA A:GLY116 3.5 17.2 1.0
NH1 A:ARG105 3.6 30.1 1.0
CD A:ARG105 3.8 43.9 1.0
C A:GLY116 3.8 19.3 1.0
OG A:SER117 3.9 35.8 1.0
CB A:SER117 4.3 27.0 1.0
CA A:SER117 4.3 29.6 1.0
O A:HOH342 4.5 27.9 1.0
CZ A:ARG105 4.6 32.0 1.0
NE A:ARG105 4.6 68.1 1.0
N A:GLY116 4.8 15.6 1.0
CG A:ARG105 4.9 49.2 1.0

Chlorine binding site 3 out of 9 in 6hcd

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Chlorine binding site 3 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:53.9
occ:1.00
 NE A:ARG67 3.0 39.5 1.0
N A:GLY73 3.1 14.9 1.0
O A:GLY73 3.3 18.5 1.0
CG A:ARG67 3.5 26.1 1.0
CA A:GLU72 3.6 26.7 1.0
CD A:ARG67 3.7 38.1 1.0
CG A:GLU72 3.7 0.5 1.0
CZ A:ARG67 3.8 37.3 1.0
C A:GLU72 3.8 21.9 1.0
NH1 A:ARG67 4.0 71.6 1.0
CA A:GLY73 4.1 17.5 1.0
C A:GLY73 4.1 18.7 1.0
CB A:GLU72 4.2 35.2 1.0
NH1 D:ARG46 4.5 67.6 1.0
O A:ALA71 4.5 24.6 1.0
N A:GLU72 4.8 22.2 1.0
NH2 A:ARG67 4.9 36.3 1.0
CB A:ARG67 4.9 23.7 1.0
NH2 D:ARG46 4.9 55.9 1.0

Chlorine binding site 4 out of 9 in 6hcd

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Chlorine binding site 4 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:43.4
occ:1.00
 O A:HOH343 2.6 45.9 1.0
O A:HOH303 2.7 43.7 1.0
O A:HOH306 2.9 19.3 1.0
N A:ASP11 3.6 22.8 1.0
CB A:ALA17 3.6 18.8 1.0
CA A:ALA17 3.7 17.4 1.0
N A:ALA17 4.0 16.9 1.0
CA A:VAL10 4.1 21.2 1.0
C8 A:UNL201 4.2 75.6 1.0
NE A:ARG16 4.3 38.3 1.0
CB A:ASP11 4.4 42.7 1.0
C A:VAL10 4.4 20.4 1.0
NH1 A:ARG16 4.5 46.9 1.0
O A:ALA9 4.5 17.5 1.0
OG A:SER14 4.5 17.9 1.0
CA A:ASP11 4.6 28.2 1.0
CB A:VAL10 4.7 22.1 1.0
C A:ARG16 4.7 17.0 1.0
CZ A:ARG16 4.7 71.3 1.0
O A:HOH339 4.8 44.8 1.0
O A:LYS12 4.8 27.3 1.0
N A:LYS12 4.8 25.5 1.0
CG2 A:VAL20 4.8 14.2 1.0
CG A:ARG16 4.8 22.8 1.0
CA A:GLY103 4.9 12.4 1.0
CG1 A:VAL10 4.9 36.7 1.0
O1 A:UNL201 4.9 43.5 1.0
N A:GLY103 5.0 11.6 1.0
C7 A:UNL201 5.0 58.4 1.0

Chlorine binding site 5 out of 9 in 6hcd

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Chlorine binding site 5 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:18.7
occ:1.00
 O B:HOH335 3.0 17.0 1.0
NH1 D:ARG120 3.3 19.3 1.0
CD B:ARG29 3.3 27.7 1.0
CD2 C:PHE115 3.5 13.9 1.0
N C:PHE115 3.6 12.4 1.0
CB B:ARG29 3.6 15.6 1.0
NE B:ARG29 3.7 31.7 1.0
CG B:ARG29 3.8 37.6 1.0
NH2 D:ARG120 3.8 15.0 1.0
CA C:ILE114 3.9 16.0 1.0
CZ D:ARG120 4.0 17.3 1.0
CE2 C:PHE115 4.2 19.7 1.0
C C:ILE114 4.2 13.0 1.0
CB C:ILE114 4.3 14.4 1.0
CG C:PHE115 4.4 16.3 1.0
CB C:PHE115 4.4 20.6 1.0
O C:LEU113 4.5 16.1 1.0
CG2 C:ILE114 4.5 14.9 1.0
CA B:ARG29 4.5 18.8 1.0
CA C:PHE115 4.6 12.7 1.0
O B:ARG29 4.6 14.6 1.0
C B:ARG29 4.7 14.3 1.0
CD C:ARG120 4.8 17.2 1.0
CZ B:ARG29 4.9 22.6 1.0
NE C:ARG120 4.9 23.6 1.0
CD1 D:LEU124 4.9 14.6 1.0
CG C:ARG120 5.0 15.6 1.0
O C:HOH319 5.0 27.9 1.0

Chlorine binding site 6 out of 9 in 6hcd

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Chlorine binding site 6 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:48.3
occ:1.00
 O B:HOH331 3.1 24.6 1.0
O B:HOH333 3.2 34.8 1.0
NE B:ARG16 3.6 47.3 1.0
CA B:ALA17 3.8 25.2 1.0
NH2 B:ARG16 3.9 58.7 1.0
CB B:ALA17 3.9 18.6 1.0
N B:ALA17 3.9 17.8 1.0
CZ B:ARG16 4.0 87.1 1.0
CA B:GLY103 4.2 17.5 1.0
CG2 B:VAL20 4.3 14.3 1.0
CG B:ARG16 4.4 24.6 1.0
N B:GLY103 4.4 16.4 1.0
C B:ARG16 4.5 17.8 1.0
CD B:ARG16 4.5 28.3 1.0
OG B:SER14 4.6 25.7 1.0
N B:ASP11 4.6 26.7 1.0
CB B:ARG16 4.7 22.5 1.0
O B:ARG16 4.8 19.6 1.0
O B:ALA9 4.9 18.9 1.0
C B:GLY103 4.9 18.5 1.0
CA B:VAL10 4.9 19.7 1.0
O B:GLY103 5.0 14.5 1.0

Chlorine binding site 7 out of 9 in 6hcd

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Chlorine binding site 7 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:54.0
occ:1.00
 O C:HOH341 3.6 33.1 1.0
CG C:ARG22 3.7 31.4 1.0
NH2 C:ARG22 4.0 49.1 1.0
CG C:ARG19 4.0 16.3 1.0
CD C:ARG22 4.1 45.1 1.0
CB C:ARG22 4.1 25.9 1.0
CA C:ARG19 4.2 13.3 1.0
O C:GLU18 4.3 13.0 1.0
N C:ARG19 4.4 13.2 1.0
CG C:GLU18 4.4 61.1 1.0
C C:GLU18 4.5 14.7 1.0
O C:HOH318 4.6 21.3 1.0
NE C:ARG22 4.7 37.8 1.0
CZ C:ARG22 4.7 40.4 1.0
CB C:ARG19 4.7 14.0 1.0
CB C:GLU18 4.8 22.2 1.0

Chlorine binding site 8 out of 9 in 6hcd

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Chlorine binding site 8 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:38.8
occ:1.00
 NH2 D:ARG105 3.1 62.2 1.0
CD D:ARG105 3.1 1.0 1.0
N D:GLY116 3.2 22.5 1.0
CB D:ALA119 3.7 17.4 1.0
O D:HOH339 3.8 21.2 1.0
CA D:GLY116 3.9 19.4 1.0
CZ D:ARG105 4.0 50.6 1.0
NE D:ARG105 4.0 93.1 1.0
CA D:PHE115 4.1 15.6 1.0
N D:ARG105 4.1 29.1 1.0
C D:PHE115 4.1 22.3 1.0
CG D:ARG105 4.1 0.8 1.0
O D:ARG105 4.3 0.3 1.0
CB D:ILE104 4.3 19.2 1.0
CD2 D:PHE115 4.4 12.6 1.0
CA D:ILE104 4.4 18.5 1.0
CG2 D:ILE104 4.5 22.8 1.0
O D:GLY116 4.5 17.6 1.0
CB D:PHE115 4.6 15.1 1.0
C D:GLY116 4.7 18.4 1.0
O D:ILE114 4.8 19.7 1.0
C D:ILE104 4.8 22.1 1.0
CA D:ARG105 4.9 46.6 1.0
CG D:PHE115 4.9 13.3 1.0
CB D:ARG105 5.0 64.7 1.0

Chlorine binding site 9 out of 9 in 6hcd

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Chlorine binding site 9 out of 9 in the Structure of Universal Stress Protein From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Universal Stress Protein From Archaeoglobus Fulgidus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl203

b:42.3
occ:1.00
 O D:HOH313 3.0 35.0 1.0
O D:HOH312 3.0 30.5 1.0
O D:HOH322 3.1 22.4 1.0
NE D:ARG16 3.2 22.3 1.0
CA D:GLY103 3.7 13.0 1.0
NH2 D:ARG16 3.7 47.8 1.0
CZ D:ARG16 3.9 33.8 1.0
CA D:ALA17 3.9 16.0 1.0
N D:ALA17 4.0 13.4 1.0
CB D:ALA17 4.1 17.9 1.0
N D:GLY103 4.1 14.1 1.0
CG D:ARG16 4.1 16.9 1.0
CD D:ARG16 4.2 25.2 1.0
CG2 D:VAL20 4.3 14.3 1.0
C D:GLY103 4.4 14.4 1.0
C D:ARG16 4.4 16.1 1.0
CB D:ARG16 4.5 19.7 1.0
OG D:SER14 4.5 17.7 1.0
O D:GLY103 4.6 15.9 1.0
O D:ARG16 4.8 16.2 1.0

Reference:

K.L.Tkaczuk, I.A Shumilin, M.Chruszcz, E.Evdokimova, A.Savchenko, W.Minor. Structural and Functional Insight Into the Universal Stress Protein Family. Evol Appl V. 6 434 2013.
ISSN: ESSN 1752-4571
PubMed: 23745136
DOI: 10.1111/EVA.12057
Page generated: Sun Jul 28 00:45:50 2024

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