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Chlorine in PDB 8u0r: The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex

Protein crystallography data

The structure of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex, PDB code: 8u0r was solved by U.Diesterbeck, A.G.Gittis, D.N.Garboczi, B.Moss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.31 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.86, 70.06, 78.95, 90, 95.29, 90
R / Rfree (%) 21.1 / 23.9

Other elements in 8u0r:

The structure of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex also contains other interesting chemical elements:

Iodine (I) 12 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex (pdb code 8u0r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex, PDB code: 8u0r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 8u0r

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Chlorine binding site 1 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:56.7
occ:1.00
 OD1 A:ASN68 2.8 58.6 1.0
CG A:ASN68 3.2 59.7 1.0
ND2 A:ASN68 3.2 59.9 1.0
N A:ASN68 3.9 40.3 1.0
CB A:ASP67 4.1 42.5 1.0
CG A:ASP67 4.1 45.0 1.0
OD2 A:ASP67 4.1 50.7 1.0
CG A:LYS69 4.2 54.8 1.0
CB A:ASN68 4.3 51.1 1.0
N A:LYS69 4.5 48.0 1.0
CA A:ASN68 4.6 46.4 1.0
NZ A:LYS69 4.6 61.0 1.0
OD1 A:ASP67 4.7 45.8 1.0
C A:ASN68 4.8 47.8 1.0
C A:ASP67 4.9 46.1 1.0
CB A:LYS69 5.0 51.0 1.0

Chlorine binding site 2 out of 9 in 8u0r

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Chlorine binding site 2 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:71.8
occ:0.95
 O A:HOH307 3.4 63.5 1.0
N A:GLY101 4.2 52.9 1.0
CA A:GLY101 4.7 48.6 1.0
CB A:PRO100 4.8 55.8 1.0
C A:PRO100 4.9 49.2 1.0

Chlorine binding site 3 out of 9 in 8u0r

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Chlorine binding site 3 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:69.9
occ:0.90
 N A:ARG104 3.7 44.8 1.0
CA A:GLY101 3.9 48.6 1.0
CB A:ALA103 3.9 46.2 1.0
O A:HOH308 4.0 47.9 1.0
CB A:ARG104 4.1 49.8 1.0
C A:GLY101 4.2 48.6 1.0
N A:ALA103 4.2 45.8 1.0
CA A:ALA103 4.4 48.5 1.0
C A:ALA103 4.5 47.6 1.0
O A:GLY101 4.5 50.1 1.0
CA A:ARG104 4.5 47.4 1.0
N A:GLY101 4.5 52.9 1.0
O A:HOH307 4.6 63.5 1.0
N A:PHE102 4.7 47.2 1.0

Chlorine binding site 4 out of 9 in 8u0r

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Chlorine binding site 4 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl212

b:55.3
occ:1.00
 N B:ARG104 3.6 37.3 1.0
CA B:GLY101 3.7 35.1 1.0
CB B:ARG104 4.0 39.1 1.0
O B:HOH315 4.1 43.9 1.0
C B:GLY101 4.1 39.9 1.0
N B:ALA103 4.2 38.4 1.0
CA B:ALA103 4.4 38.4 1.0
C B:ALA103 4.4 37.3 1.0
CA B:ARG104 4.4 38.7 1.0
N B:GLY101 4.5 40.7 1.0
O B:GLY101 4.5 38.0 1.0
N B:PHE102 4.6 38.2 1.0
CL B:CL213 4.9 67.0 1.0

Chlorine binding site 5 out of 9 in 8u0r

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Chlorine binding site 5 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl213

b:67.0
occ:1.00
 NH1 B:ARG104 3.2 49.8 1.0
CD B:ARG104 4.0 46.1 1.0
I B:IOD211 4.3 69.8 0.7
CZ B:ARG104 4.4 51.2 1.0
NE B:ARG104 4.6 47.2 1.0
CB B:ARG104 4.7 39.1 1.0
CG B:ARG104 4.7 40.0 1.0
CL B:CL212 4.9 55.3 1.0

Chlorine binding site 6 out of 9 in 8u0r

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Chlorine binding site 6 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl208

b:66.9
occ:1.00
 N C:ALA103 3.7 36.0 1.0
N C:PHE102 3.8 39.8 1.0
O C:HOH309 3.8 34.3 1.0
O C:ILE99 3.9 40.6 1.0
CB C:PHE102 4.1 37.7 1.0
CB C:ALA103 4.2 40.9 1.0
CA C:PHE102 4.3 42.6 1.0
O C:ARG96 4.4 44.9 1.0
C C:PHE102 4.5 37.1 1.0
N C:GLY101 4.5 42.3 1.0
C C:GLY101 4.6 40.4 1.0
CA C:ALA103 4.6 44.0 1.0
CA C:GLY101 4.8 40.0 1.0

Chlorine binding site 7 out of 9 in 8u0r

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Chlorine binding site 7 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl208

b:67.2
occ:1.00
 CD1 D:PHE55 4.0 65.9 1.0
CE1 D:PHE55 4.0 72.0 1.0
CA D:ASN54 4.0 56.8 1.0
N D:PHE55 4.0 54.7 1.0
CB D:ASN54 4.3 51.0 1.0
C D:ASN54 4.5 53.5 1.0
O D:TYR53 4.7 55.8 1.0
CG D:ASN54 4.9 56.7 1.0
O D:PHE55 5.0 69.5 1.0

Chlorine binding site 8 out of 9 in 8u0r

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Chlorine binding site 8 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl208

b:48.6
occ:0.85
 N F:ARG104 3.5 41.0 1.0
O F:HOH313 3.7 50.0 1.0
CA F:GLY101 3.8 43.4 1.0
CB F:ARG104 4.0 43.9 1.0
CB F:ALA103 4.0 41.4 1.0
C F:GLY101 4.1 43.5 1.0
N F:ALA103 4.2 39.9 1.0
CA F:ARG104 4.3 44.1 1.0
C F:ALA103 4.4 42.5 1.0
CA F:ALA103 4.4 43.5 1.0
N F:GLY101 4.5 40.4 1.0
O F:GLY101 4.6 40.4 1.0
N F:PHE102 4.6 41.1 1.0

Chlorine binding site 9 out of 9 in 8u0r

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Chlorine binding site 9 out of 9 in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl209

b:67.0
occ:1.00
 O F:HOH305 3.0 61.1 1.0
NZ F:LYS63 3.3 45.4 1.0
O C:HOH317 3.3 50.4 0.8
CZ F:PHE43 3.8 39.4 1.0
CE1 F:PHE43 4.1 46.1 1.0
CE F:LYS63 4.2 41.5 1.0
O F:LYS85 4.3 55.9 1.0
CG2 F:THR89 4.3 33.6 1.0
CB F:LYS85 4.8 63.6 1.0
CE2 F:PHE43 5.0 38.6 1.0

Reference:

U.Diesterbeck, A.Tak, A.G.Gittis, D.N.Garboczi, B.Moss. The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex To Be Published.
Page generated: Sat Sep 28 19:33:29 2024

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