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Chlorine in PDB 6grj: Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.

Protein crystallography data

The structure of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila., PDB code: 6grj was solved by A.M.Churchill-Angus, J.S.Wilson, P.J.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 102.67 / 2.94
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 363.644, 116.526, 217.409, 90.00, 118.01, 90.00
R / Rfree (%) 22.2 / 23.9

Other elements in 6grj:

The structure of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. also contains other interesting chemical elements:

Sodium (Na) 10 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Chlorine atom in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. (pdb code 6grj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 27 binding sites of Chlorine where determined in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila., PDB code: 6grj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 1 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl405

b:87.4
occ:1.00
 CB G:ASN43 3.1 86.9 1.0
N G:ASN43 3.3 65.0 1.0
CD G:PRO42 3.5 81.5 1.0
N G:PRO42 3.7 81.1 1.0
CA G:PHE41 3.7 67.2 1.0
CB G:PHE41 3.7 67.0 1.0
C G:PHE41 3.7 75.5 1.0
CA G:ASN43 3.8 75.9 1.0
CD1 G:PHE41 4.3 70.6 1.0
C G:PRO42 4.4 68.6 1.0
CG G:ASN43 4.4 97.3 1.0
O G:PHE41 4.4 82.8 1.0
CG G:PHE41 4.5 72.0 1.0
CA G:PRO42 4.5 75.5 1.0
CG2 G:VAL159 4.6 61.5 1.0
CG G:PRO42 4.6 79.0 1.0
C G:ASN43 4.7 71.6 1.0
CG1 G:VAL159 4.8 64.0 1.0
ND2 G:ASN43 4.8 0.1 1.0
N G:LEU44 4.8 71.0 1.0
CB G:PRO42 4.8 74.0 1.0

Chlorine binding site 2 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 2 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl406

b:61.3
occ:1.00
 CB G:ASP63 4.7 61.5 1.0
N G:LEU64 4.9 45.8 1.0

Chlorine binding site 3 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 3 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl407

b:64.8
occ:1.00
 NE2 G:GLN48 3.4 51.2 1.0
CG2 G:THR49 3.4 52.7 1.0
ND2 G:ASN52 3.5 49.2 1.0
CG G:GLN48 3.7 49.8 1.0
CA G:THR49 3.8 56.3 1.0
CD G:GLN48 4.0 51.3 1.0
CB G:THR49 4.1 51.6 1.0
N G:THR49 4.1 53.5 1.0
CB G:ASN52 4.2 42.4 1.0
O G:GLN48 4.2 58.7 1.0
C G:GLN48 4.2 57.0 1.0
CG G:ASN52 4.3 42.7 1.0
CB G:GLN48 4.7 49.2 1.0
C G:THR49 4.9 56.1 1.0

Chlorine binding site 4 out of 27 in 6grj

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Chlorine binding site 4 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl403

b:90.3
occ:1.00
 O J:ILE145 3.0 48.6 1.0
ND2 J:ASN47 3.1 45.9 1.0
OE1 J:GLN50 3.4 46.7 1.0
CB J:ASN47 3.4 47.6 1.0
CA J:ILE145 3.5 46.5 1.0
CB J:ASN148 3.6 61.1 1.0
CG J:LEU149 3.7 38.8 1.0
C J:ILE145 3.7 45.7 1.0
CG J:ASN47 3.7 50.7 1.0
CD J:GLN50 3.7 49.1 1.0
CA J:ASN47 3.8 47.4 1.0
CG2 J:ILE145 3.8 49.4 1.0
N J:LEU149 4.0 49.8 1.0
CB J:ILE145 4.1 47.4 1.0
CG1 J:ILE51 4.1 43.8 1.0
NE2 J:GLN50 4.1 53.4 1.0
O J:ASN47 4.1 41.3 1.0
CD2 J:LEU149 4.2 40.4 1.0
CD1 J:ILE51 4.3 46.2 1.0
C J:ASN148 4.3 51.5 1.0
CD1 J:LEU149 4.3 39.9 1.0
CA J:ASN148 4.4 52.5 1.0
C J:ASN47 4.4 46.3 1.0
CG1 J:ILE145 4.4 51.1 1.0
CG J:GLN50 4.5 42.8 1.0
CB J:LEU149 4.6 39.9 1.0
CA J:LEU149 4.6 45.0 1.0
CB J:GLN50 4.7 38.8 1.0
O J:GLY144 4.7 48.4 1.0
CG J:ASN148 4.7 63.5 1.0
N J:ILE145 4.7 44.9 1.0
N J:ASN148 4.8 48.2 1.0
ND2 J:ASN148 4.8 70.7 1.0
OD1 J:ASN47 4.9 53.7 1.0

Chlorine binding site 5 out of 27 in 6grj

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Chlorine binding site 5 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:0.0
occ:1.00
 CB A:ASN43 3.2 84.9 1.0
N A:ASN43 3.2 76.2 1.0
CA A:PHE41 3.3 85.2 1.0
CB A:PHE41 3.4 82.5 1.0
CD A:PRO42 3.4 76.1 1.0
C A:PHE41 3.4 88.9 1.0
N A:PRO42 3.5 84.8 1.0
CA A:ASN43 3.8 79.3 1.0
CD1 A:PHE41 4.0 68.1 1.0
O A:PHE41 4.2 96.3 1.0
CG A:PHE41 4.2 74.9 1.0
C A:PRO42 4.3 74.6 1.0
CA A:PRO42 4.4 81.9 1.0
CG A:ASN43 4.5 94.5 1.0
CG1 A:VAL159 4.6 66.7 1.0
CG A:PRO42 4.6 76.4 1.0
C A:ASN43 4.6 73.7 1.0
N A:LEU44 4.6 73.2 1.0
CG2 A:VAL159 4.6 66.0 1.0
CB A:PRO42 4.7 76.8 1.0
N A:PHE41 4.8 80.4 1.0
ND2 A:ASN43 4.9 0.5 1.0

Chlorine binding site 6 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 6 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:69.5
occ:1.00
 ND2 B:ASN52 3.1 46.8 1.0
NE2 B:GLN48 3.2 47.9 1.0
CG B:GLN48 3.7 52.4 1.0
CG2 B:THR49 3.9 63.8 1.0
CD B:GLN48 3.9 52.2 1.0
CB B:ASN52 4.0 52.7 1.0
CG B:ASN52 4.0 54.0 1.0
CA B:THR49 4.1 57.1 1.0
O B:GLN48 4.2 54.1 1.0
C B:GLN48 4.4 51.3 1.0
N B:THR49 4.4 49.9 1.0
CB B:THR49 4.5 58.1 1.0
CB B:GLN48 4.7 55.0 1.0

Chlorine binding site 7 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 7 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:0.0
occ:1.00
 ND2 B:ASN47 2.9 65.7 1.0
O B:ILE145 3.1 51.0 1.0
OE1 B:GLN50 3.2 52.0 1.0
CB B:ASN47 3.4 54.9 1.0
CB B:ASN148 3.5 48.2 1.0
CG B:ASN47 3.6 58.1 1.0
CA B:ILE145 3.6 47.7 1.0
CD B:GLN50 3.6 50.9 1.0
CG B:LEU149 3.7 52.0 1.0
CA B:ASN47 3.7 57.2 1.0
C B:ILE145 3.8 46.7 1.0
N B:LEU149 3.9 50.4 1.0
CG2 B:ILE145 3.9 58.5 1.0
NE2 B:GLN50 4.1 45.9 1.0
C B:ASN148 4.2 50.4 1.0
O B:ASN47 4.2 57.9 1.0
CD2 B:LEU149 4.2 53.5 1.0
CB B:ILE145 4.2 53.2 1.0
CG1 B:ILE51 4.3 51.5 1.0
CA B:ASN148 4.3 46.3 1.0
CD1 B:LEU149 4.4 54.4 1.0
CD1 B:ILE51 4.4 53.8 1.0
C B:ASN47 4.4 61.5 1.0
CG B:GLN50 4.4 53.1 1.0
CG1 B:ILE145 4.6 56.2 1.0
CA B:LEU149 4.6 47.0 1.0
CB B:LEU149 4.6 51.0 1.0
CG B:ASN148 4.6 50.2 1.0
O B:GLY144 4.7 51.9 1.0
ND2 B:ASN148 4.7 56.7 1.0
CB B:GLN50 4.7 51.1 1.0
N B:ASN148 4.7 44.5 1.0
OD1 B:ASN47 4.8 60.4 1.0
N B:ILE145 4.8 48.3 1.0
O B:ASN148 4.9 54.6 1.0
N B:ASN47 5.0 58.7 1.0

Chlorine binding site 8 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 8 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:68.6
occ:1.00
 N C:ALA4 3.3 63.5 1.0
ND2 J:ASN79 3.3 62.1 1.0
CB C:ASN3 3.4 85.8 1.0
OD1 J:ASN79 3.4 57.3 1.0
CB C:ALA4 3.7 55.2 1.0
CG J:ASN79 3.8 55.3 1.0
CA C:ALA4 4.0 56.4 1.0
C C:ASN3 4.1 73.0 1.0
CA C:ASN3 4.1 79.0 1.0
CG2 J:THR75 4.2 51.9 1.0
OG1 C:THR2 4.4 72.1 1.0
CG C:ASN3 4.4 85.9 1.0
N C:ASN3 4.4 81.0 1.0
OD1 C:ASN3 4.6 97.6 1.0
CB C:THR2 5.0 0.5 1.0

Chlorine binding site 9 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 9 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:0.4
occ:1.00
 OE1 D:GLU254 3.1 75.2 1.0
OE1 C:GLN242 3.2 77.6 1.0
CB D:ASN43 3.3 75.5 1.0
NE2 C:GLN242 3.4 79.4 1.0
N D:ASN43 3.6 56.3 1.0
CD D:PRO42 3.7 69.0 1.0
CD C:GLN242 3.7 72.1 1.0
CA D:ASN43 4.1 62.0 1.0
N D:PRO42 4.1 66.5 1.0
CD D:GLU254 4.2 62.8 1.0
CG D:ASN43 4.4 82.9 1.0
CG D:PRO42 4.4 70.1 1.0
OE2 D:GLU254 4.5 64.9 1.0
C D:PHE41 4.6 66.1 1.0
CB D:PRO42 4.6 68.6 1.0
C D:PRO42 4.6 57.7 1.0
CA D:PHE41 4.7 65.1 1.0
CA D:PRO42 4.7 66.3 1.0
ND2 D:ASN43 5.0 79.2 1.0

Chlorine binding site 10 out of 27 in 6grj

Go back to Chlorine Binding Sites List in 6grj
Chlorine binding site 10 out of 27 in the Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the Ahlb Pore of the Tripartite Alpha-Pore Forming Toxin, Ahl, From Aeromonas Hydrophila. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl405

b:83.1
occ:1.00
 CB C:ASN43 3.2 79.2 1.0
N C:ASN43 3.4 80.8 1.0
CB C:PHE41 3.5 80.3 1.0
CA C:PHE41 3.5 78.7 1.0
CD C:PRO42 3.6 84.8 1.0
C C:PHE41 3.7 87.4 1.0
N C:PRO42 3.7 87.8 1.0
CA C:ASN43 3.9 77.1 1.0
CD1 C:PHE41 4.0 71.0 1.0
CG C:PHE41 4.3 75.7 1.0
O C:PHE41 4.4 87.7 1.0
C C:PRO42 4.5 91.0 1.0
CG1 C:VAL159 4.5 62.8 1.0
CG C:ASN43 4.5 87.4 1.0
CG2 C:VAL159 4.6 58.1 1.0
CA C:PRO42 4.6 90.6 1.0
C C:ASN43 4.7 76.9 1.0
N C:LEU44 4.8 75.7 1.0
CG C:PRO42 4.9 87.2 1.0
ND2 C:ASN43 4.9 92.8 1.0
N C:PHE41 4.9 74.5 1.0
CB C:PRO42 5.0 89.9 1.0

Reference:

J.S.Wilson, A.M.Churchill-Angus, S.P.Davies, S.E.Sedelnikova, S.B.Tzokov, J.B.Rafferty, P.A.Bullough, C.Bisson, P.J.Baker. Identification and Structural Analysis of the Tripartite Alpha-Pore Forming Toxin of Aeromonas Hydrophila. Nat Commun V. 10 2900 2019.
ISSN: ESSN 2041-1723
PubMed: 31263098
DOI: 10.1038/S41467-019-10777-X
Page generated: Sun Jul 28 00:12:04 2024

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