Iodine in PDB 1rlj: Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis

The structure of Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis, PDB code: 1rlj was solved by R.Wu, R.Zhang, F.Collart, 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)	42.62 / 2.00
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	85.236, 85.236, 59.992, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.7

The binding sites of Iodine atom in the Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis (pdb code 1rlj). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis, PDB code: 1rlj:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:I152 b:69.7 occ:1.00 O A:HOH299 3.6 34.4 1.0 O A:HOH322 3.6 47.6 1.0 OG A:SER123 3.6 48.3 1.0 CA A:VAL2 4.2 27.1 1.0 CG1 A:VAL119 4.3 16.8 1.0 N A:VAL2 4.4 29.1 1.0 CB A:SER123 4.4 46.7 1.0 CB A:VAL2 4.5 27.8 1.0 CB A:PRO37 4.6 31.6 1.0 CG2 A:VAL2 4.6 27.4 1.0 CG2 A:VAL119 4.7 16.4 1.0 C A:MET1 4.8 29.4 1.0 CG A:PRO37 4.9 32.1 1.0 CD1 A:LEU66 4.9 23.3 1.0 CD A:PRO37 5.0 33.1 1.0

Iodine binding site 2 out of 2 in the Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structural Genomics, A Flavoprotein Nrdi From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:I153 b:51.3 occ:1.00 O A:HOH255 3.5 38.2 1.0 O A:HOH296 3.6 32.1 1.0 CE2 A:TYR91 3.8 30.1 1.0 CG A:GLN90 4.1 44.1 1.0 CG2 A:VAL50 4.3 17.2 1.0 NE2 A:GLN90 4.3 49.2 1.0 CG1 A:ILE87 4.4 19.0 1.0 CG A:GLN55 4.4 31.4 1.0 CG2 A:THR86 4.4 19.2 1.0 CD1 A:LEU58 4.4 23.5 1.0 OH A:TYR91 4.5 31.4 1.0 CG1 A:VAL50 4.5 16.7 1.0 CB A:GLN90 4.5 38.4 1.0 CB A:VAL50 4.5 17.9 1.0 CZ A:TYR91 4.6 30.4 1.0 CD A:GLN90 4.6 48.6 1.0 CD2 A:TYR91 4.7 30.2 1.0 OE1 A:GLN55 4.7 35.5 1.0 CA A:ILE87 4.8 20.8 1.0 CD A:GLN55 4.9 33.4 1.0 CB A:GLN55 4.9 28.8 1.0 CA A:GLN55 5.0 28.0 1.0

R.Wu, R.Zhang, F.Collart, A.Joachimiak. 1.5A Crystal Structure of A Thioredoxin-Like Protein Nrdi From Bacillus Subtilis To Be Published.