Chlorine in PDB 6aqk: Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga

Protein crystallography data

The structure of Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga, PDB code: 6aqk was solved by J.N.Busby, M.R.H.Hurst, J.S.Lott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.41 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.510, 54.520, 100.820, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.6

Other elements in 6aqk:

The structure of Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga also contains other interesting chemical elements:

Bromine (Br) 1 atom
Platinum (Pt) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga (pdb code 6aqk). 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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga, PDB code: 6aqk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6aqk

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Chlorine binding site 1 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:62.1
occ:0.96
 PT A:PT1001 2.3 64.5 1.0
SD A:MET800 2.8 60.5 1.0
O A:HOH1165 3.3 50.5 1.0
CL A:CL1008 3.4 60.1 1.0
CG A:MET800 3.6 47.3 1.0
CB A:SER766 3.6 38.8 1.0
CA A:PRO763 3.7 39.8 1.0
OG A:SER766 3.7 46.5 1.0
CB A:MET800 3.8 49.3 1.0
CE2 A:TYR762 3.8 45.4 1.0
CD2 A:TYR762 4.1 41.7 1.0
CB A:PRO763 4.2 42.8 1.0
CE A:MET800 4.3 50.9 1.0
O A:PRO763 4.4 33.7 1.0
N A:PRO763 4.5 35.2 1.0
CG A:PRO763 4.6 43.9 1.0
C A:PRO763 4.6 35.4 1.0
CL A:CL1009 4.7 78.0 1.0
CZ A:TYR762 4.7 40.3 1.0
CA A:MET800 4.8 49.2 1.0
O A:TYR762 4.9 33.9 1.0
CA A:SER766 5.0 33.7 1.0

Chlorine binding site 2 out of 9 in 6aqk

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Chlorine binding site 2 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1008

b:60.1
occ:0.96
 PT A:PT1001 2.6 64.5 1.0
CL A:CL1009 3.4 78.0 1.0
CL A:CL1007 3.4 62.1 1.0
O A:LYS801 3.7 59.9 1.0
O A:HOH1165 3.9 50.5 1.0
N A:LYS801 4.5 51.9 1.0
CE2 A:TYR762 4.7 45.4 1.0
C A:LYS801 4.7 55.0 1.0
CB A:LYS801 4.9 53.0 1.0
SD A:MET800 5.0 60.5 1.0

Chlorine binding site 3 out of 9 in 6aqk

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Chlorine binding site 3 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:78.0
occ:0.96
 PT A:PT1001 2.4 64.5 1.0
CE A:MET800 3.2 50.9 1.0
CL A:CL1008 3.4 60.1 1.0
CA A:MET800 3.8 49.2 1.0
O A:ASN799 3.8 48.1 1.0
N A:LYS801 3.8 51.9 1.0
SD A:MET800 4.0 60.5 1.0
C A:MET800 4.3 54.4 1.0
CB A:MET800 4.4 49.3 1.0
C A:ASN799 4.6 48.5 1.0
CL A:CL1007 4.7 62.1 1.0
N A:MET800 4.7 46.9 1.0
CB A:LYS801 4.7 53.0 1.0
CG A:MET800 4.8 47.3 1.0
CA A:LYS801 4.9 56.5 1.0

Chlorine binding site 4 out of 9 in 6aqk

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Chlorine binding site 4 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:55.5
occ:0.78
 PT A:PT1002 2.5 79.9 0.8
CB A:LEU872 3.8 36.4 1.0
CD1 A:LEU872 3.9 37.5 1.0
CG A:LEU872 4.2 36.4 1.0
CD2 A:LEU872 4.3 44.7 1.0
CE A:MET870 4.4 44.1 1.0
SD A:MET870 4.5 54.0 1.0
CA A:LEU872 4.8 35.3 1.0

Chlorine binding site 5 out of 9 in 6aqk

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Chlorine binding site 5 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1011

b:37.5
occ:0.64
 PT A:PT1004 2.4 60.7 0.6
N A:ASP885 3.2 32.6 1.0
N A:LYS884 3.2 31.4 1.0
CL A:CL1012 3.2 35.5 0.6
CG A:MET888 3.3 45.8 1.0
O A:GLY918 3.6 35.9 1.0
CB A:ALA883 3.6 31.1 1.0
O A:GLU917 3.7 43.7 1.0
CA A:GLY918 3.7 34.3 1.0
C A:GLY918 3.8 33.3 1.0
CB A:ASP885 3.8 39.4 1.0
CA A:LYS884 3.9 35.3 1.0
CB A:LYS884 3.9 35.1 1.0
CA A:ALA883 3.9 26.5 1.0
C A:ALA883 3.9 27.5 1.0
SD A:MET888 4.0 58.8 1.0
C A:LYS884 4.0 33.6 1.0
CA A:ASP885 4.1 33.9 1.0
O A:ASP885 4.1 34.9 1.0
CE A:MET888 4.2 60.5 1.0
OH A:TYR890 4.2 68.0 1.0
C A:GLU917 4.5 40.0 1.0
N A:GLY918 4.6 34.5 1.0
C A:ASP885 4.6 32.9 1.0
CL A:CL1013 4.6 46.9 0.6
CB A:MET888 4.7 43.0 1.0
CG A:LYS884 4.8 36.6 1.0
N A:GLU919 4.8 30.7 1.0
O A:ALA883 5.0 29.2 1.0

Chlorine binding site 6 out of 9 in 6aqk

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Chlorine binding site 6 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1012

b:35.5
occ:0.64
 PT A:PT1004 2.4 60.7 0.6
CL A:CL1011 3.2 37.5 0.6
CL A:CL1013 3.6 46.9 0.6
CA A:GLY918 4.0 34.3 1.0
CB A:LYS884 4.0 35.1 1.0
CB A:ASP885 4.1 39.4 1.0
O A:GLU917 4.4 43.7 1.0
CD A:LYS884 4.5 37.5 1.0
N A:ASP885 4.5 32.6 1.0
N A:GLY918 4.7 34.5 1.0
C A:GLU917 4.8 40.0 1.0
CG A:LYS884 4.8 36.6 1.0
OD2 A:ASP885 5.0 53.2 1.0

Chlorine binding site 7 out of 9 in 6aqk

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Chlorine binding site 7 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1013

b:46.9
occ:0.64
 PT A:PT1004 2.3 60.7 0.6
SD A:MET888 2.9 58.8 1.0
CL A:CL1012 3.6 35.5 0.6
CE A:MET888 3.9 60.5 1.0
OD2 A:ASP885 4.3 53.2 1.0
CG A:MET888 4.3 45.8 1.0
CB A:ASP885 4.5 39.4 1.0
CL A:CL1011 4.6 37.5 0.6
CG A:ASP885 4.7 44.5 1.0

Chlorine binding site 8 out of 9 in 6aqk

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Chlorine binding site 8 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1014

b:74.2
occ:0.92
 PT A:PT1006 2.7 0.4 0.9
ND2 A:ASN945 3.0 44.2 1.0
CB A:ASN945 3.9 40.4 1.0
CG A:ASN945 4.0 41.5 1.0
CB A:MET943 4.1 45.4 1.0
SD A:MET943 4.3 76.8 1.0
CL A:CL1015 4.5 81.0 0.9
CG A:MET943 4.7 51.9 1.0
O A:MET943 4.7 41.9 1.0
CE2 A:TYR949 4.7 42.5 1.0

Chlorine binding site 9 out of 9 in 6aqk

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Chlorine binding site 9 out of 9 in the Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga


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 C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1015

b:81.0
occ:0.92
 PT A:PT1006 2.8 0.4 0.9
OH A:TYR949 2.8 39.7 1.0
CZ A:TYR949 3.8 38.7 1.0
CE2 A:TYR949 4.0 42.5 1.0
SD A:MET943 4.0 76.8 1.0
CE1 A:HIS899 4.2 39.2 1.0
CL A:CL1014 4.5 74.2 0.9
OE2 A:GLU836 4.6 43.0 1.0
CG A:MET943 4.8 51.9 1.0
NE2 A:HIS899 4.8 39.1 1.0
OE1 A:GLU836 4.9 53.5 1.0

Reference:

J.N.Busby, M.R.H.Hurst, J.S.Lott. Crystal Structure of the C-Terminal Toxin Domain of RHS2 From Yersinia Entomophaga To Be Published.
Page generated: Sat Dec 12 12:44:06 2020

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