Iodine in PDB 6n7o: Crystal Structure of GIL01 GP7

The structure of Crystal Structure of GIL01 GP7, PDB code: 6n7o was solved by N.A.Caveney, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.16 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.690, 44.700, 46.300, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23

The binding sites of Iodine atom in the Crystal Structure of GIL01 GP7 (pdb code 6n7o). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of GIL01 GP7, PDB code: 6n7o:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of GIL01 GP7


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 GIL01 GP7 within 5.0Å range: probe atom residue distance (Å) B Occ B:I101 b:23.9 occ:0.65 O B:HOH216 3.6 26.3 1.0 O B:HOH208 3.7 36.4 1.0 NH1 B:ARG28 3.8 24.3 1.0 CD B:LYS4 3.8 25.4 1.0 CG B:LYS4 4.1 26.1 1.0 CB B:GLN31 4.1 27.2 1.0 CB B:LYS4 4.2 20.3 1.0 O B:GLN31 4.2 26.8 1.0 C B:GLN31 4.2 21.2 1.0 N B:VAL32 4.3 21.8 1.0 CG2 B:VAL32 4.4 22.4 1.0 CE B:LYS4 4.4 35.9 1.0 CA B:VAL32 4.4 22.8 1.0 NZ B:LYS4 4.7 36.5 1.0 CZ B:ARG28 4.7 21.4 1.0 NH2 B:ARG28 4.8 21.4 1.0 CA B:GLN31 4.9 17.4 1.0 OE1 B:GLN31 4.9 30.7 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of GIL01 GP7


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 GIL01 GP7 within 5.0Å range: probe atom residue distance (Å) B Occ A:I101 b:40.1 occ:0.30 NZ A:LYS17 3.2 48.6 1.0 O A:HOH231 3.2 40.6 1.0 N A:SER21 3.4 21.5 1.0 I A:IOD102 3.9 38.0 0.4 CB A:VAL20 4.0 20.3 1.0 CB A:SER21 4.0 23.7 1.0 CA A:VAL20 4.0 21.1 1.0 CD A:LYS17 4.0 27.0 1.0 CE A:LYS17 4.2 28.5 1.0 CG1 A:VAL20 4.2 20.1 1.0 C A:VAL20 4.2 20.4 1.0 CD2 A:TYR24 4.3 30.8 1.0 CA A:SER21 4.3 19.9 1.0 CG A:TYR24 4.6 23.9 1.0 CB A:TYR24 4.6 20.1 1.0 O A:HOH229 4.8 47.5 1.0 CE2 A:TYR24 5.0 34.4 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of GIL01 GP7


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 GIL01 GP7 within 5.0Å range: probe atom residue distance (Å) B Occ A:I102 b:38.0 occ:0.36 NZ A:LYS17 3.6 48.6 1.0 I A:IOD101 3.9 40.1 0.3 N A:SER21 3.9 21.5 1.0 O A:VAL19 3.9 18.3 1.0 CA A:VAL20 4.1 21.1 1.0 C A:VAL20 4.3 20.4 1.0 CE A:LYS17 4.4 28.5 1.0 CD A:LYS17 4.4 27.0 1.0 C A:VAL19 4.6 19.5 1.0 CA A:SER21 4.6 19.9 1.0 CG1 B:VAL19 4.7 23.6 1.0 CB A:SER21 4.7 23.7 1.0 N A:VAL20 4.7 18.9 1.0

N.A.Caveney, A.Pavlin, G.Caballero, M.Bahun, V.Hodnik, L.De Castro, N.Fornelos, M.Butala, N.C.J.Strynadka. Structural Insights Into Bacteriophage GIL01 GP7 Inhibition of Host Lexa Repressor. Structure V. 27 1094 2019.
ISSN: ISSN 0969-2126
PubMed: 31056420
DOI: 10.1016/J.STR.2019.03.019