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

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

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

Sodium	(Na)	2 atoms
Chlorine	(Cl)	9 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine 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 Iodine atom.
In total 12 binding sites of Iodine where determined in the The Crystal Structure of Protein A21, A Component of the Conserved Poxvirus Entry-Fusion Complex, PDB code: 8u0r:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 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 Iodine with other atoms in the I 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:I207 b:56.4 occ:0.55 N A:CYS45 3.5 53.9 1.0 CB A:ILE44 3.9 54.5 1.0 CA A:ILE44 4.0 52.4 1.0 CB A:CYS45 4.3 55.3 1.0 C A:ILE44 4.3 55.2 1.0 CG2 A:ILE44 4.4 51.2 1.0 CA A:CYS45 4.4 57.9 1.0 O A:CYS45 4.6 59.6 1.0 CD1 A:ILE78 4.7 55.3 1.0

Iodine binding site 2 out of 12 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 Iodine with other atoms in the I 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:I208 b:62.0 occ:0.66 CB A:ASP48 3.9 55.0 1.0 O A:ASP47 4.4 59.4 1.0 C A:ASP47 4.5 57.3 1.0 OD2 A:ASP48 4.7 57.2 1.0 CG A:ASP48 4.7 56.5 1.0 N A:ASP48 4.8 55.1 1.0 CA A:ASP48 5.0 55.5 1.0

Iodine binding site 3 out of 12 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 Iodine with other atoms in the I 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:I209 b:76.9 occ:0.75 CE2 A:TYR107 3.6 54.3 1.0 NE A:ARG108 3.7 63.9 1.0 CD2 A:TYR107 3.8 54.8 1.0 NH2 A:ARG108 3.9 58.4 1.0 CZ A:ARG108 4.3 62.4 1.0 CG A:ARG108 4.6 57.1 1.0 CD A:ARG108 4.8 63.5 1.0 CZ A:TYR107 4.9 65.2 1.0 CB A:ARG108 4.9 56.4 1.0 CA A:ARG108 4.9 50.0 1.0

Iodine binding site 4 out of 12 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 Iodine with other atoms in the I 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:I206 b:52.9 occ:0.52 SG B:CYS45 3.4 53.9 1.0 N B:ASP47 3.8 41.2 1.0 O B:CYS45 3.8 50.2 1.0 C B:CYS45 3.9 48.0 1.0 N B:VAL46 4.0 44.0 1.0 CA B:VAL46 4.0 44.6 1.0 CB B:CYS45 4.0 45.0 1.0 N B:ASP48 4.1 43.8 1.0 C B:VAL46 4.2 42.1 1.0 CA B:CYS45 4.6 43.6 1.0 CA B:ASP47 4.6 40.5 1.0 CA B:ASP48 4.9 44.6 1.0 C B:ASP47 4.9 43.1 1.0

Iodine binding site 5 out of 12 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 Iodine with other atoms in the I 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:I207 b:42.3 occ:0.82 N B:ASP47 3.6 41.2 1.0 O B:HOH311 3.9 46.5 1.0 CA B:ASP47 3.9 40.5 1.0 CD B:ARG108 3.9 43.1 1.0 CB B:ASP47 4.1 41.3 1.0 CB B:ARG108 4.2 41.5 1.0 CG B:ARG108 4.3 45.3 1.0 CG1 B:VAL46 4.3 43.5 1.0 NH1 B:ARG108 4.3 39.3 1.0 OD1 B:ASP47 4.4 48.5 1.0 C B:VAL46 4.7 42.1 1.0 NE B:ARG108 4.7 46.0 1.0 CG B:ASP47 4.7 44.9 1.0 CZ B:ARG108 4.9 47.2 1.0 CA B:VAL46 5.0 44.6 1.0

Iodine binding site 6 out of 12 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 Iodine with other atoms in the I 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 B:I208 b:55.1 occ:0.66 CD B:LYS69 4.2 50.9 1.0 CG B:LYS69 4.7 44.0 1.0 NZ B:LYS69 4.8 58.6 1.0 CE B:LYS69 5.0 54.5 1.0

Iodine binding site 7 out of 12 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 Iodine with other atoms in the I 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 B:I209 b:54.5 occ:0.78 ND2 B:ASN79 3.3 53.8 1.0 ND2 B:ASN82 3.5 49.3 1.0 O B:ILE78 4.0 49.4 1.0 CA B:ASN79 4.2 48.7 1.0 CG1 B:ILE78 4.2 44.1 1.0 C B:ILE78 4.4 48.0 1.0 CB B:ASN82 4.4 49.3 1.0 CG B:ASN79 4.4 51.7 1.0 CG2 B:ILE78 4.4 44.5 1.0 N B:ASN79 4.4 47.4 1.0 CD1 B:ILE78 4.4 47.5 1.0 CG B:ASN82 4.5 52.5 1.0 CB B:ASN79 4.5 52.6 1.0 CB B:ILE78 4.9 48.2 1.0

Iodine binding site 8 out of 12 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 Iodine with other atoms in the I 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 B:I210 b:45.7 occ:0.55 NH2 B:ARG104 3.4 46.0 1.0 O B:PRO100 3.6 37.4 1.0 NH1 B:ARG104 3.8 49.8 1.0 NH2 B:ARG49 3.9 43.6 1.0 C B:PRO100 4.0 37.4 1.0 CZ B:ARG104 4.1 51.2 1.0 CA B:GLY101 4.2 35.1 1.0 N B:GLY101 4.2 40.7 1.0 CB B:PRO100 4.5 45.0 1.0 CZ B:ARG49 4.6 41.4 1.0 C3 B:PGR205 4.6 43.1 1.0 NH1 B:ARG49 4.6 42.4 1.0 CA B:PRO100 4.9 40.1 1.0

Iodine binding site 9 out of 12 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 Iodine with other atoms in the I 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 B:I211 b:69.8 occ:0.70 CL B:CL213 4.3 67.0 1.0 CD B:ARG104 4.5 46.1 1.0 NH2 B:ARG108 4.5 43.1 1.0 NH1 B:ARG104 5.0 49.8 1.0

Iodine binding site 10 out of 12 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 Iodine with other atoms in the I binding site number 10 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:I207 b:75.5 occ:0.49 N C:THR57 3.6 68.0 1.0 CA C:THR56 3.8 62.5 1.0 C C:THR56 3.8 71.3 1.0 OG1 C:THR57 3.9 68.2 1.0 O F:HOH314 4.1 56.7 1.0 CB C:THR56 4.2 62.4 1.0 CB C:THR57 4.3 73.8 1.0 CD2 B:TYR107 4.5 53.9 1.0 CA C:THR57 4.5 67.7 1.0 O C:THR56 4.6 65.8 1.0 CE2 B:TYR107 4.6 55.4 1.0 O C:PHE55 5.0 58.2 1.0 CG2 C:THR56 5.0 60.0 1.0 O F:ASN83 5.0 63.6 1.0

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.