Iodine in PDB 6axx: Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein

The structure of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein, PDB code: 6axx 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)	45.80 / 2.60
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	91.646, 91.646, 57.695, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 24.7

The structure of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein also contains other interesting chemical elements:

Chlorine

(Cl)

9 atoms

The binding sites of Iodine atom in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein (pdb code 6axx). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein, PDB code: 6axx:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:66.0 occ:0.89 CG A:LYS158 3.6 83.6 1.0 CD A:PRO157 3.7 71.2 1.0 N A:LYS158 3.8 70.9 1.0 CA A:GLY156 3.9 62.5 1.0 N A:GLU159 3.9 64.3 1.0 N A:PRO157 3.9 67.0 1.0 C A:GLY156 4.0 63.4 1.0 C A:LYS158 4.2 67.0 1.0 CB A:GLU159 4.2 59.5 1.0 CE A:LYS158 4.4 95.4 1.0 CA A:LYS158 4.4 71.6 1.0 CA A:GLU159 4.4 60.7 1.0 CG A:PRO157 4.5 74.4 1.0 CB A:LYS158 4.6 77.8 1.0 O A:GLY156 4.6 59.8 1.0 CD A:LYS158 4.7 90.6 1.0 O A:LYS158 4.8 66.1 1.0 C A:PRO157 4.8 69.3 1.0 CA A:PRO157 4.9 69.2 1.0 N A:GLY156 4.9 58.8 1.0

Iodine binding site 2 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:57.5 occ:0.66 NH1 A:ARG173 3.5 62.2 1.0 CG A:LYS170 3.9 63.8 1.0 OE1 A:GLU35 4.0 70.1 1.0 CD A:ARG173 4.0 60.3 1.0 CE A:LYS170 4.3 72.1 1.0 CG A:PRO34 4.4 64.4 1.0 CD A:LYS170 4.4 66.9 1.0 CZ A:ARG173 4.5 62.9 1.0 CB A:LYS170 4.5 60.3 1.0 CA A:LYS170 4.6 57.8 1.0 CB A:PRO34 4.6 64.5 1.0 CD A:PRO34 4.6 63.4 1.0 NE A:ARG173 4.7 61.1 1.0 CD A:GLU35 4.9 68.9 1.0 O A:LYS170 5.0 57.6 1.0

Iodine binding site 3 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:70.5 occ:0.63 CG A:MET144 4.0 76.9 1.0 SD A:MET144 4.1 80.2 1.0 CE1 A:TYR145 4.2 66.2 1.0 CD1 A:TYR145 4.4 66.8 1.0 O A:MET144 4.5 66.4 1.0

Iodine binding site 4 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:79.8 occ:0.55 OG A:SER41 3.4 64.8 1.0 CA A:PRO38 3.9 68.7 1.0 O A:ILE37 4.0 62.8 1.0 N A:PRO38 4.0 66.4 1.0 CG2 A:ILE37 4.1 65.4 1.0 C A:ILE37 4.1 63.7 1.0 CB A:SER41 4.3 63.2 1.0 CB A:PRO38 4.3 68.9 1.0 CD A:PRO38 4.5 66.8 1.0 CD1 A:ILE135 4.6 62.0 1.0 CB A:ILE37 4.7 64.7 1.0 CL A:CL311 4.9 68.7 0.9

Iodine binding site 5 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:73.7 occ:0.42 O A:GLY206 3.8 86.4 1.0 C A:GLY206 3.9 87.5 1.0 O A:LEU202 3.9 67.0 1.0 N A:PRO207 4.1 89.8 1.0 CA A:LYS203 4.2 72.3 1.0 CA A:PRO207 4.2 89.8 1.0 CG1 A:VAL191 4.2 67.2 1.0 O A:LYS203 4.5 71.4 1.0 CB A:PRO207 4.5 93.9 1.0 CA A:GLY206 4.5 85.1 1.0 CG2 A:VAL191 4.6 65.0 1.0 C A:LEU202 4.7 67.6 1.0 CB A:VAL191 4.7 66.1 1.0 N A:LYS203 4.7 70.4 1.0 C A:LYS203 4.8 69.6 1.0 N A:GLY206 4.8 80.6 1.0 CG A:LYS203 4.9 76.8 1.0 CD A:PRO207 4.9 92.3 1.0

Iodine binding site 6 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:0.2 occ:0.63 O A:PRO17 3.7 77.0 1.0 C A:PRO17 3.9 78.7 1.0 N A:ARG18 4.0 80.1 1.0 CA A:ARG18 4.0 80.8 1.0 CB A:PRO17 4.1 84.9 1.0 CB A:ASN21 4.4 75.6 1.0 CB A:ARG18 4.5 87.0 1.0 CA A:PRO17 4.7 80.8 1.0 CG A:ARG18 4.9 91.5 1.0 CG A:ASN21 5.0 80.1 1.0 OD1 A:ASN21 5.0 84.0 1.0

Iodine binding site 7 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:64.4 occ:0.37 CA A:ARG173 3.7 59.3 1.0 NZ A:LYS182 3.7 77.5 1.0 CG A:LEU172 3.8 49.5 1.0 N A:ARG173 3.9 60.4 1.0 CD A:LYS182 4.0 78.8 1.0 CD2 A:LEU172 4.1 50.0 1.0 C A:LEU172 4.1 48.6 1.0 CB A:ARG173 4.1 59.3 1.0 CB A:LEU172 4.2 47.7 1.0 O A:LEU172 4.3 48.3 1.0 CE A:LYS182 4.4 77.8 1.0 CG A:ARG173 4.5 59.7 1.0 O A:TYR169 4.5 59.2 1.0 CD1 A:TYR169 4.8 55.7 1.0 CA A:LEU172 4.8 47.8 1.0

Iodine binding site 8 out of 8 in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:97.7 occ:0.65 CB A:ALA124 3.8 73.7 1.0 CA A:ALA124 4.0 75.4 1.0 CZ2 A:TRP80 4.0 70.9 1.0 CH2 A:TRP80 4.0 71.0 1.0 CG A:PRO99 4.2 69.9 1.0 CD A:PRO125 4.3 72.7 1.0 CD1 A:ILE129 4.3 63.2 1.0 C A:ALA124 4.4 73.3 1.0 O A:HOH435 4.6 69.3 1.0 CD A:PRO99 4.6 70.6 1.0 N A:PRO125 4.7 71.7 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.