Iodine in PDB 3hnw: Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750

The structure of Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750, PDB code: 3hnw was solved by Y.Kim, R.Hendricks, L.Keigher, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.85 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.182, 53.837, 40.917, 90.00, 99.83, 90.00
R / Rfree (%)	21.3 / 24.4

The binding sites of Iodine atom in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 (pdb code 3hnw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750, PDB code: 3hnw:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750


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 A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 within 5.0Å range: probe atom residue distance (Å) B Occ A:I136 b:69.5 occ:0.90 OE1 A:GLU45 3.8 52.8 1.0 CG A:ARG49 4.0 32.9 1.0 CB A:ARG48 4.1 38.7 1.0 O A:ARG48 4.1 39.1 1.0 C A:ARG48 4.2 36.8 1.0 O A:HOH182 4.2 33.6 1.0 N A:ARG49 4.3 37.1 1.0 CA A:ARG49 4.3 34.7 1.0 CB A:ARG49 4.7 31.4 1.0 CD A:GLU45 4.7 50.9 1.0 CA A:ARG48 4.8 38.5 1.0 O A:HOH161 4.9 36.5 1.0

Iodine binding site 2 out of 5 in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750


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 A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 within 5.0Å range: probe atom residue distance (Å) B Occ A:I137 b:83.8 occ:0.85 CB A:TYR47 4.0 39.9 1.0 OG A:SER46 4.1 56.0 1.0 CD1 A:TYR47 4.3 41.1 1.0 N A:TYR47 4.3 40.0 1.0 CA A:TYR47 4.3 38.9 1.0 O A:HOH155 4.3 46.9 1.0 OE2 A:GLU44 4.3 57.8 1.0 CE1 A:PHE41 4.6 42.7 1.0 CB A:GLU44 4.6 41.6 1.0 CD1 A:PHE41 4.6 43.2 1.0 CG A:TYR47 4.6 41.9 1.0 CG A:GLU44 4.8 54.6 1.0 CB A:SER46 4.9 44.7 1.0 C A:SER46 4.9 38.5 1.0 CD A:GLU44 4.9 59.7 1.0

Iodine binding site 3 out of 5 in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750


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 A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 within 5.0Å range: probe atom residue distance (Å) B Occ B:I136 b:0.1 occ:0.80 CE B:MSE50 3.9 47.8 1.0 CG B:MSE58 4.1 41.9 1.0 SE B:MSE58 4.3 64.2 0.9 O A:HOH214 4.5 53.7 1.0 CD1 B:TYR47 4.5 38.6 1.0 O A:HOH201 4.6 68.5 1.0 SE B:MSE50 4.6 48.1 0.8 CB B:MSE58 4.7 38.0 1.0 CE1 B:PHE41 4.7 45.9 1.0 O A:HOH196 4.8 48.6 1.0

Iodine binding site 4 out of 5 in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750


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 A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 within 5.0Å range: probe atom residue distance (Å) B Occ B:I137 b:0.7 occ:1.00 CG B:MSE73 4.0 56.9 1.0 CE A:LYS71 4.4 62.9 1.0 CB B:MSE73 4.5 56.7 1.0 CA B:ALA70 4.7 47.1 1.0 O B:LYS69 4.8 51.9 1.0 CB B:ALA70 4.8 43.8 1.0 CG A:LYS71 4.8 54.3 1.0

Iodine binding site 5 out of 5 in the Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 within 5.0Å range: probe atom residue distance (Å) B Occ B:I138 b:0.7 occ:1.00 N B:GLU22 3.7 75.0 1.0 N B:SER23 3.9 72.6 1.0 CB B:GLU22 4.1 80.5 1.0 CD1 B:TYR21 4.2 65.4 1.0 CA B:TYR21 4.2 76.4 1.0 CA B:GLU22 4.3 79.6 1.0 O B:HOH143 4.3 60.7 1.0 C B:TYR21 4.4 75.7 1.0 CD2 B:TYR26 4.4 48.7 1.0 CG B:TYR21 4.4 69.9 1.0 CB B:SER23 4.4 59.6 1.0 O B:SER23 4.6 57.1 1.0 CB B:TYR21 4.6 71.5 1.0 C B:GLU22 4.6 75.9 1.0 O B:GLY20 4.6 78.6 1.0 CA B:SER23 4.7 63.0 1.0 CE1 B:TYR21 4.7 64.1 1.0

Y.Kim, M.Cuff, R.Hendricks, L.Keigher, A.Joachimiak. Crystal Structure of A Basic Coiled-Coil Protein of Unknown Function From Eubacterium Eligens Atcc 27750 To Be Published.