Iodine in PDB 6axv: Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)

The structure of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74), PDB code: 6axv was solved by A.T.Gres, K.A.Kirby, S.G.Sarafianos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 2.77
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.998, 92.998, 57.631, 90.00, 90.00, 120.00
R / Rfree (%)	22.8 / 27.9

The structure of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) also contains other interesting chemical elements:

Chlorine

(Cl)

9 atoms

The binding sites of Iodine atom in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) (pdb code 6axv). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74), PDB code: 6axv:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:60.3 occ:0.98 N A:LYS158 3.5 69.6 1.0 CD A:PRO157 3.7 86.4 1.0 N A:GLU159 3.7 66.3 1.0 CA A:GLY156 3.8 72.9 1.0 N A:PRO157 3.9 81.5 1.0 C A:LYS158 3.9 68.4 1.0 CA A:LYS158 4.0 72.3 1.0 C A:GLY156 4.0 72.0 1.0 CB A:LYS158 4.1 79.5 1.0 CB A:GLU159 4.3 57.5 1.0 CA A:GLU159 4.4 61.0 1.0 C A:PRO157 4.6 76.6 1.0 O A:LYS158 4.6 68.8 1.0 CA A:PRO157 4.7 78.5 1.0 O A:GLY156 4.8 67.8 1.0 CG A:PRO157 4.9 89.1 1.0 N A:GLY156 5.0 68.1 1.0

Iodine binding site 2 out of 5 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:60.9 occ:0.99 NH1 A:ARG173 3.6 45.1 1.0 CG A:LYS170 3.6 46.5 1.0 CD A:ARG173 3.9 33.8 1.0 CD A:LYS170 4.1 48.0 1.0 OE1 A:GLU35 4.1 96.4 1.0 CB A:LYS170 4.4 37.8 1.0 CZ A:ARG173 4.6 41.6 1.0 CG A:PRO34 4.6 63.6 1.0 CA A:LYS170 4.6 44.1 1.0 OG A:SER33 4.7 64.3 1.0 NE A:ARG173 4.7 39.5 1.0 CD A:PRO34 4.7 60.9 1.0 CB A:PRO34 4.9 67.5 1.0

Iodine binding site 3 out of 5 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:93.5 occ:0.69 SD A:MET144 3.9 82.7 1.0 CG A:MET144 4.0 72.1 1.0 CE1 A:TYR145 4.3 71.5 1.0 O A:MET144 4.4 82.3 1.0 CD1 A:TYR145 4.5 75.6 1.0

Iodine binding site 4 out of 5 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:66.0 occ:0.42 NE2 A:GLN179 3.6 0.9 1.0 CD A:GLN179 3.8 0.8 1.0 OE1 A:GLN179 3.8 0.2 1.0 CG A:GLN179 4.8 99.3 1.0

Iodine binding site 5 out of 5 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:0.4 occ:0.88 CB A:SER41 4.0 67.5 1.0 CA A:PRO38 4.0 67.8 1.0 N A:PRO38 4.2 65.0 1.0 OG A:SER41 4.2 70.8 1.0 O A:ILE37 4.4 61.5 1.0 CG A:PRO38 4.4 67.0 1.0 CG2 A:ILE37 4.4 59.7 1.0 C A:ILE37 4.5 62.7 1.0 CB A:PRO38 4.5 65.2 1.0 CD1 A:ILE135 4.6 47.5 1.0 CD A:PRO38 4.7 69.0 1.0

M.Novikova, A.T.Gres, K.A.Kirby, S.G.Sarafianos, E.O.Freed. Identification of A Novel Element in Hiv-1 Capsid Critical For Assembly and Maturation To Be Published.