Iodine in PDB 7l1p: Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand

The structure of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand, PDB code: 7l1p was solved by M.A.Gorman, M.W.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.75 / 1.85
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	46.277, 46.277, 139.003, 90, 90, 90
R / Rfree (%)	23.8 / 28.4

The binding sites of Iodine atom in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand (pdb code 7l1p). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand, PDB code: 7l1p:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:62.6 occ:1.00 HE3 A:LYS71 2.7 62.5 1.0 HE2 A:LYS173 2.8 68.3 1.0 HB2 A:LYS173 2.8 39.9 1.0 H A:LYS173 2.8 30.8 1.0 HB3 A:HIS171 3.3 44.9 1.0 HB3 A:LEU172 3.4 31.6 1.0 CE A:LYS71 3.6 52.1 1.0 CB A:LYS173 3.6 33.2 1.0 HD3 A:LYS71 3.6 59.7 1.0 H A:LEU172 3.6 41.1 1.0 N A:LYS173 3.6 25.6 1.0 HB3 A:LYS173 3.6 39.9 1.0 O A:HOH425 3.7 36.2 1.0 CE A:LYS173 3.7 57.0 1.0 HE3 A:LYS173 3.9 68.3 1.0 CD A:LYS71 4.0 49.8 1.0 N A:LEU172 4.0 34.3 1.0 HD2 A:HIS171 4.0 63.0 1.0 HG12 A:VAL88 4.0 47.8 1.0 HZ1 A:LYS71 4.1 57.9 1.0 HZ3 A:LYS71 4.1 57.9 1.0 HD2 A:LYS71 4.2 59.7 1.0 HD2 A:LYS173 4.2 53.5 1.0 NZ A:LYS71 4.2 48.2 1.0 HE2 A:LYS71 4.2 62.5 1.0 CB A:HIS171 4.3 37.5 1.0 CA A:LYS173 4.3 25.8 1.0 CB A:LEU172 4.3 26.4 1.0 CD A:LYS173 4.4 44.6 1.0 HG11 A:VAL88 4.4 47.8 1.0 HA A:HIS171 4.4 41.3 1.0 HZ1 A:LYS173 4.5 86.6 1.0 HG22 A:VAL88 4.5 33.3 1.0 CA A:LEU172 4.5 36.6 1.0 C A:LEU172 4.6 25.4 1.0 CG A:LYS173 4.6 38.8 1.0 HB A:VAL88 4.6 42.8 1.0 CG1 A:VAL88 4.6 39.8 1.0 NZ A:LYS173 4.6 72.2 1.0 HA A:LYS173 4.7 30.9 1.0 C A:HIS171 4.7 35.7 1.0 CA A:HIS171 4.7 34.4 1.0 CD2 A:HIS171 4.7 52.5 1.0 HB2 A:LEU172 4.7 31.6 1.0 HB2 A:HIS171 4.8 44.9 1.0 HD23 A:LEU172 4.9 28.5 1.0 CG A:HIS171 4.9 50.4 1.0 HG3 A:LYS173 4.9 46.6 1.0 HZ3 A:LYS173 4.9 86.6 1.0

Iodine binding site 2 out of 6 in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:43.0 occ:1.00 H A:GLY70 2.7 37.1 1.0 HB3 A:HIS67 3.0 50.4 1.0 HA2 A:GLY70 3.3 44.9 1.0 N A:GLY70 3.5 30.9 1.0 HB2 A:HIS67 3.7 50.4 1.0 CB A:HIS67 3.8 42.0 1.0 CA A:GLY70 3.8 37.4 1.0 HA A:LEU68 3.9 35.6 1.0 N A:LEU68 4.0 30.4 1.0 H A:GLU69 4.1 39.7 1.0 C A:HIS67 4.2 25.7 1.0 N A:GLU69 4.2 33.1 1.0 H A:LEU68 4.2 36.5 1.0 C A:LEU68 4.3 32.7 1.0 CA A:LEU68 4.3 29.7 1.0 O A:HOH421 4.3 33.1 1.0 H A:LYS71 4.4 43.3 1.0 O A:HIS67 4.6 36.5 1.0 CA A:HIS67 4.6 33.7 1.0 HA3 A:GLY70 4.6 44.9 1.0 C A:GLU69 4.6 28.9 1.0 C A:GLY70 4.7 39.6 1.0 N A:LYS71 4.8 36.1 1.0 CG A:HIS67 4.8 41.3 1.0 HA A:HIS67 4.9 40.5 1.0 CA A:GLU69 4.9 34.8 1.0 O A:LEU68 4.9 29.7 1.0 O A:LYS71 4.9 33.2 1.0 HA A:GLU69 5.0 41.7 1.0

Iodine binding site 3 out of 6 in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:76.0 occ:1.00 OE1 A:GLN137 2.5 69.9 1.0 HE22 A:GLN137 2.8 64.7 1.0 HD11 A:LEU101 3.2 37.3 1.0 CD A:GLN137 3.2 56.7 1.0 NE2 A:GLN137 3.3 53.9 1.0 HG12 A:VAL113 3.3 33.3 1.0 HD13 A:LEU101 3.4 37.3 1.0 HB A:VAL113 3.4 33.0 1.0 HG11 A:VAL113 3.5 33.3 1.0 OD2 A:CSD130 3.6 25.1 1.0 HG11 A:VAL126 3.7 34.7 1.0 HD22 A:LEU63 3.7 40.5 1.0 CD1 A:LEU101 3.8 31.1 1.0 CG1 A:VAL113 3.8 27.8 1.0 HD21 A:LEU101 3.9 29.2 1.0 HG13 A:VAL126 3.9 34.7 1.0 OD1 A:CSD130 3.9 48.8 1.0 HD2 A:CSD130 3.9 30.1 1.0 HB3 A:ASN120 4.0 45.4 1.0 HG12 A:VAL126 4.0 34.7 1.0 HE21 A:GLN137 4.0 64.7 1.0 HD22 A:LEU101 4.0 29.2 1.0 CG1 A:VAL126 4.1 28.9 1.0 CB A:VAL113 4.1 27.5 1.0 HA A:GLN137 4.1 33.3 1.0 HG23 A:THR115 4.2 41.8 1.0 HG21 A:THR115 4.3 41.8 1.0 SG A:CSD130 4.3 27.8 1.0 HD23 A:LEU63 4.3 40.5 1.0 CD2 A:LEU101 4.3 24.4 1.0 HB2 A:ASN120 4.4 45.4 1.0 HG21 A:VAL113 4.4 28.8 1.0 HD12 A:LEU101 4.4 37.3 1.0 HB2 A:GLN137 4.5 46.8 1.0 CD2 A:LEU63 4.5 33.7 1.0 CG A:GLN137 4.5 52.4 1.0 CB A:ASN120 4.6 37.8 1.0 HZ2 A:LYS127 4.6 49.1 1.0 HG13 A:VAL113 4.7 33.3 1.0 CG A:LEU101 4.7 19.8 1.0 CG2 A:THR115 4.7 34.8 1.0 HZ1 A:LYS127 4.8 49.1 1.0 CG2 A:VAL113 4.8 24.0 1.0 CB A:GLN137 4.8 39.0 1.0 CA A:GLN137 4.9 27.7 1.0 O A:VAL113 4.9 22.5 1.0 HD21 A:LEU63 4.9 40.5 1.0 CG A:ASN120 4.9 28.4 1.0 HZ3 A:LYS127 4.9 49.1 1.0 OD1 A:ASN120 4.9 47.0 1.0 HG2 A:GLN137 4.9 62.9 1.0 HB3 A:LEU63 5.0 31.6 1.0 NZ A:LYS127 5.0 41.0 1.0

Iodine binding site 4 out of 6 in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:66.9 occ:1.00 HD2 B:LYS173 2.5 59.9 1.0 HB3 B:LYS173 2.8 46.3 1.0 H B:LYS173 3.2 33.6 1.0 HB3 B:LEU172 3.2 28.9 1.0 O B:HOH427 3.4 42.7 1.0 CD B:LYS173 3.4 49.9 1.0 H B:LEU172 3.4 35.3 1.0 HD3 B:LYS71 3.4 55.7 1.0 HG2 B:LYS173 3.5 39.8 1.0 HB3 B:HIS171 3.5 48.0 1.0 CB B:LYS173 3.6 38.6 1.0 HD3 B:LYS173 3.7 59.9 1.0 CG B:LYS173 3.7 33.1 1.0 HG11 B:VAL88 3.8 43.6 1.0 HZ3 B:LYS71 3.8 72.4 1.0 N B:LYS173 3.8 28.0 1.0 N B:LEU172 3.9 29.4 1.0 HE2 B:LYS71 4.0 54.3 1.0 CB B:LEU172 4.1 24.1 1.0 HE3 B:LYS173 4.3 77.8 1.0 CD B:LYS71 4.3 46.4 1.0 HB2 B:LYS173 4.3 46.3 1.0 HA B:HIS171 4.3 37.9 1.0 CA B:LYS173 4.4 27.2 1.0 CB B:HIS171 4.4 40.0 1.0 HD2 B:HIS171 4.4 58.5 1.0 CA B:LEU172 4.4 32.1 1.0 CE B:LYS173 4.4 64.9 1.0 CE B:LYS71 4.4 45.2 1.0 HG21 B:VAL88 4.4 37.1 1.0 HE2 B:LYS173 4.5 77.8 1.0 NZ B:LYS71 4.5 60.3 1.0 HG12 B:VAL88 4.5 43.6 1.0 CG1 B:VAL88 4.5 36.3 1.0 C B:LEU172 4.5 21.8 1.0 C B:HIS171 4.5 33.4 1.0 HB B:VAL88 4.6 41.6 1.0 HB2 B:LEU172 4.6 28.9 1.0 CA B:HIS171 4.7 31.6 1.0 H051 A:R2A301 4.7 62.9 1.0 HG3 B:LYS173 4.7 39.8 1.0 HD23 B:LEU172 4.7 34.5 1.0 HA B:LYS173 4.8 32.6 1.0 HD2 B:LYS71 4.8 55.7 1.0 HZ1 B:LYS71 4.9 72.4 1.0 HG B:LEU172 5.0 36.7 1.0 HG2 B:LYS71 5.0 48.9 1.0 HB2 B:HIS171 5.0 48.0 1.0 CB B:VAL88 5.0 34.6 1.0

Iodine binding site 5 out of 6 in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:32.7 occ:0.47 HE21 B:GLN137 2.4 63.3 1.0 NE2 B:GLN137 2.4 52.8 1.0 HE22 B:GLN137 2.6 63.3 1.0 CD B:GLN137 2.9 56.3 1.0 HG2 B:GLN137 3.0 59.7 1.0 HD11 B:LEU101 3.3 32.2 1.0 HD22 B:ASN120 3.3 46.4 1.0 HG12 B:VAL113 3.4 27.2 1.0 CG B:GLN137 3.5 49.8 1.0 OE1 B:GLN137 3.6 60.6 1.0 HB B:VAL113 3.6 28.7 1.0 HB3 B:ASN120 3.7 37.1 1.0 HG11 B:VAL113 3.8 27.2 1.0 HD13 B:LEU101 3.8 32.2 1.0 OD1 B:CSD130 3.8 31.7 1.0 HG11 B:VAL126 3.8 37.1 1.0 CG1 B:VAL113 3.9 22.7 1.0 HA B:GLN137 3.9 25.7 1.0 CD1 B:LEU101 4.0 26.9 1.0 ND2 B:ASN120 4.0 38.7 1.0 HD23 B:LEU63 4.0 38.2 1.0 HG13 B:VAL126 4.0 37.1 1.0 HD22 B:LEU63 4.1 38.2 1.0 HG3 B:GLN137 4.1 59.7 1.0 HG23 B:THR115 4.2 34.1 1.0 OD2 B:CSD130 4.2 44.3 1.0 HD21 B:LEU101 4.2 37.2 1.0 HG12 B:VAL126 4.2 37.1 1.0 CG1 B:VAL126 4.2 30.9 1.0 CB B:VAL113 4.3 23.9 1.0 HG21 B:THR115 4.3 34.1 1.0 CB B:GLN137 4.4 35.5 1.0 HD21 B:ASN120 4.4 46.4 1.0 CB B:ASN120 4.4 30.9 1.0 HB3 B:GLN137 4.5 42.7 1.0 CD2 B:LEU63 4.5 31.9 1.0 HD12 B:LEU101 4.5 32.2 1.0 SG B:CSD130 4.5 32.2 1.0 HB2 B:ASN120 4.6 37.1 1.0 CA B:GLN137 4.6 21.4 1.0 CG B:ASN120 4.6 27.3 1.0 CG2 B:THR115 4.7 28.4 1.0 O B:VAL113 4.8 23.6 1.0 HG21 B:VAL113 4.8 25.3 1.0 HG13 B:VAL113 4.8 27.2 1.0 HD21 B:LEU63 4.8 38.2 1.0 CD2 B:LEU101 5.0 31.0 1.0

Iodine binding site 6 out of 6 in the Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Hiv Integrase Core Domain (in) in Complex with Dimer-Spanning Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:I303 b:44.8 occ:1.00 H B:GLY70 2.6 33.1 1.0 HB3 B:HIS67 3.1 47.7 1.0 HA2 B:GLY70 3.2 38.0 1.0 N B:GLY70 3.4 27.6 1.0 HB2 B:HIS67 3.6 47.7 1.0 CA B:GLY70 3.8 31.7 1.0 O B:HOH420 3.8 36.0 1.0 CB B:HIS67 3.8 39.7 1.0 N B:LEU68 3.9 30.5 1.0 H B:LEU68 3.9 36.6 1.0 HA B:LEU68 4.0 33.3 1.0 H B:GLU69 4.1 38.6 1.0 C B:HIS67 4.1 28.7 1.0 N B:GLU69 4.2 32.2 1.0 C B:LEU68 4.2 33.7 1.0 CA B:LEU68 4.2 27.8 1.0 O B:HIS67 4.5 29.2 1.0 HA3 B:GLY70 4.5 38.0 1.0 CA B:HIS67 4.6 32.0 1.0 C B:GLY70 4.6 36.5 1.0 C B:GLU69 4.6 24.0 1.0 H B:LYS71 4.7 40.6 1.0 O B:LEU68 4.8 27.6 1.0 CA B:GLU69 4.9 30.6 1.0 N B:LYS71 4.9 33.8 1.0 CG B:HIS67 4.9 35.8 1.0 HA B:GLU69 4.9 36.7 1.0 HA B:HIS67 4.9 38.4 1.0 O B:LYS71 5.0 30.1 1.0

M.A.Gorman, M.W.Parker. Hiv Integrase Core Domain in Complex with Inhibitor To Be Published.