Iodine in PDB 5mhg: Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa

The structure of Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa, PDB code: 5mhg was solved by T.Parkkinen, J.Rouvinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.09 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.767, 56.992, 61.993, 90.00, 98.39, 90.00
R / Rfree (%)	22.1 / 29.1

The binding sites of Iodine atom in the Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa (pdb code 5mhg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa, PDB code: 5mhg:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa within 5.0Å range: probe atom residue distance (Å) B Occ H:I301 b:0.5 occ:1.00 I1 H:4IB301 0.0 0.5 1.0 C14 H:4IB301 2.1 78.0 1.0 C13 H:4IB301 3.0 80.9 1.0 H9 H:4IB301 3.0 97.0 1.0 C11 H:4IB301 3.1 71.7 1.0 H10 H:4IB301 3.2 94.3 1.0 O1 H:4IB301 3.2 78.6 1.0 CE2 L:TYR93 4.1 67.4 1.0 CD2 L:TYR93 4.3 71.8 1.0 C10 H:4IB301 4.4 72.1 1.0 C15 H:4IB301 4.4 71.3 1.0 CD1 H:TYR59 4.6 48.8 1.0 C12 H:4IB301 4.9 68.6 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa within 5.0Å range: probe atom residue distance (Å) B Occ H:I301 b:81.2 occ:1.00 I2 H:4IB301 0.0 81.2 1.0 C15 H:4IB301 2.1 71.3 1.0 C12 H:4IB301 3.0 68.6 1.0 H11 H:4IB301 3.1 82.3 1.0 C11 H:4IB301 3.1 71.7 1.0 O1 H:4IB301 3.2 78.6 1.0 O H:SER57 3.3 61.1 1.0 C H:SER57 3.5 68.3 1.0 H10 H:4IB301 3.7 94.3 1.0 N H:ASN52 3.7 62.1 1.0 CA H:THR58 3.7 53.4 1.0 N H:THR58 3.8 63.1 1.0 C H:ILE51 3.8 60.6 1.0 O H:ALA50 3.9 43.5 1.0 CA H:ILE51 3.9 54.0 1.0 CB H:SER57 4.0 72.5 1.0 C H:THR58 4.0 53.5 1.0 CB H:ASN52 4.0 63.5 1.0 C H:ALA50 4.2 47.6 1.0 N H:ILE51 4.2 53.7 1.0 CA H:ASN52 4.3 62.4 1.0 N H:TYR59 4.3 47.4 1.0 CE1 H:TYR33 4.3 69.3 1.0 C14 H:4IB301 4.4 78.0 1.0 C10 H:4IB301 4.4 72.1 1.0 CA H:SER57 4.4 75.8 1.0 O H:ILE51 4.4 57.2 1.0 CD1 H:TYR33 4.5 69.8 1.0 O H:THR58 4.6 52.2 1.0 CG H:ASN52 4.6 63.9 1.0 CB H:TYR59 4.8 54.2 1.0 OD1 H:ASN52 4.9 69.6 1.0 C13 H:4IB301 4.9 80.9 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa within 5.0Å range: probe atom residue distance (Å) B Occ H:I301 b:97.6 occ:1.00 I3 H:4IB301 0.0 97.6 1.0 C2 H:4IB301 2.1 83.4 1.0 C6 H:4IB301 3.0 74.2 1.0 H1 H:4IB301 3.0 89.0 1.0 C5 H:4IB301 3.1 80.6 1.0 O2 H:4IB301 3.2 74.2 1.0 H12 H:4IB301 3.5 89.0 1.0 CG H:MET111 3.7 48.6 1.0 OG H:SER35 3.9 52.7 1.0 CA H:GLY99 4.0 58.6 1.0 SD H:MET111 4.1 72.2 1.0 O H:ALA110 4.3 51.7 1.0 C3 H:4IB301 4.4 64.5 1.0 C4 H:4IB301 4.4 81.1 1.0 CB H:SER35 4.5 54.1 1.0 C H:TYR109 4.5 66.2 1.0 O H:TYR109 4.6 60.6 1.0 C H:ALA110 4.7 54.5 1.0 CD1 L:LEU95 4.8 46.9 1.0 CE H:MET111 4.8 49.9 1.0 N H:GLY99 4.8 57.3 1.0 N H:ALA110 4.8 67.0 1.0 CA H:TYR109 4.8 60.6 1.0 C1 H:4IB301 4.9 75.8 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Anti-T4 Fab Fragment with Tetraiodobpa within 5.0Å range: probe atom residue distance (Å) B Occ H:I301 b:84.5 occ:1.00 I4 H:4IB301 0.0 84.5 1.0 C4 H:4IB301 2.1 81.1 1.0 C1 H:4IB301 3.0 75.8 1.0 C5 H:4IB301 3.1 80.6 1.0 H2 H:4IB301 3.1 91.0 1.0 O2 H:4IB301 3.2 74.2 1.0 H12 H:4IB301 3.4 89.0 1.0 CD2 H:TYR107 3.5 70.1 1.0 CG H:TYR107 3.6 75.8 1.0 OD2 H:ASP100 3.8 66.2 1.0 CE2 H:TYR107 3.9 69.2 1.0 CE1 H:TYR109 4.0 68.7 1.0 CB H:TYR107 4.0 75.8 1.0 CD1 H:TYR33 4.0 69.8 1.0 CE1 H:TYR33 4.0 69.3 1.0 CG H:TYR33 4.1 66.2 1.0 CZ H:TYR33 4.1 75.6 1.0 CD1 H:TYR107 4.2 74.0 1.0 CD1 H:TYR109 4.2 64.2 1.0 CD2 H:TYR33 4.2 68.4 1.0 CE2 H:TYR33 4.2 71.2 1.0 C2 H:4IB301 4.4 83.4 1.0 C3 H:4IB301 4.4 64.5 1.0 CB H:ASP100 4.4 70.0 1.0 CZ H:TYR107 4.4 70.7 1.0 CG H:ASP100 4.5 69.3 1.0 CE1 H:TYR107 4.5 67.6 1.0 CZ H:TYR109 4.7 65.6 1.0 OH H:TYR33 4.8 73.3 1.0 CB H:TYR33 4.8 63.7 1.0 C6 H:4IB301 4.9 74.2 1.0

T.Parkkinen, J.Rouvinen. Crystal Structures of Anti-T4 Fab Fragment To Be Published.