Iodine in PDB 2h8m: N-Domain of GRP94 in Complex with the 2-Iodo-Neca

The structure of N-Domain of GRP94 in Complex with the 2-Iodo-Neca, PDB code: 2h8m was solved by R.M.Immormino, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.51 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.320, 84.500, 96.080, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.1

The binding sites of Iodine atom in the N-Domain of GRP94 in Complex with the 2-Iodo-Neca (pdb code 2h8m). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the N-Domain of GRP94 in Complex with the 2-Iodo-Neca, PDB code: 2h8m:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the N-Domain of GRP94 in Complex with the 2-Iodo-Neca


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of N-Domain of GRP94 in Complex with the 2-Iodo-Neca within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:18.9 occ:0.25 I2 A:NEI401 0.0 18.9 0.2 C2 A:NEI401 2.1 18.8 0.5 N3 A:NEI401 3.0 18.8 0.5 N1 A:NEI401 3.0 19.6 0.5 O A:GLY153 3.1 15.7 1.0 CG1 A:VAL152 3.1 13.9 1.0 O A:HOH649 3.2 52.9 1.0 N A:GLY153 3.5 15.1 1.0 O A:HOH527 3.5 29.2 1.0 C A:GLY153 3.5 15.8 1.0 O A:HOH514 3.6 15.9 1.0 CA A:GLY153 3.8 13.5 1.0 CG A:MET154 3.9 18.7 0.5 CB A:ALA111 3.9 12.8 1.0 CG A:MET154 3.9 19.3 0.5 O1 A:PG4506 4.1 18.9 0.0 O A:HOH529 4.1 20.1 1.0 C4 A:NEI401 4.2 19.0 0.5 C6 A:NEI401 4.3 19.0 0.5 C A:VAL152 4.3 14.4 1.0 N A:MET154 4.5 15.4 0.5 N A:MET154 4.5 15.2 0.5 CB A:VAL152 4.5 15.3 1.0 CA A:ALA111 4.5 14.2 1.0 O A:HOH689 4.5 59.4 1.0 N A:VAL152 4.7 12.9 1.0 CA A:VAL152 4.7 13.1 1.0 CD A:LYS114 4.8 27.1 1.0 C5 A:NEI401 4.8 18.1 0.5 OG1 A:THR245 4.8 12.9 1.0 O A:HOH588 4.8 30.8 1.0 SD A:MET154 4.9 22.1 0.5 CA A:MET154 5.0 15.6 0.5 CA A:MET154 5.0 15.9 0.5

Iodine binding site 2 out of 2 in the N-Domain of GRP94 in Complex with the 2-Iodo-Neca


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of N-Domain of GRP94 in Complex with the 2-Iodo-Neca within 5.0Å range: probe atom residue distance (Å) B Occ B:I402 b:16.9 occ:0.25 I2 B:NEI402 0.0 16.9 0.2 C2 B:NEI402 2.1 15.2 0.5 N3 B:NEI402 2.9 16.2 0.5 N1 B:NEI402 3.0 15.8 0.5 O B:GLY153 3.0 16.7 1.0 CG1 B:VAL152 3.2 13.7 1.0 O B:HOH699 3.3 39.8 1.0 N B:GLY153 3.4 15.3 1.0 O B:HOH607 3.4 14.8 1.0 C B:GLY153 3.6 14.1 1.0 O B:HOH611 3.6 24.4 1.0 CA B:GLY153 3.8 14.6 1.0 CB B:ALA111 3.8 12.0 1.0 O B:HOH650 4.0 25.9 1.0 CG B:MET154 4.0 17.0 1.0 C1 B:PG4508 4.2 24.9 0.5 C4 B:NEI402 4.2 16.6 0.5 C B:VAL152 4.3 14.4 1.0 C6 B:NEI402 4.3 16.2 0.5 CA B:ALA111 4.4 14.1 1.0 O B:HOH694 4.4 47.3 1.0 CB B:VAL152 4.5 16.9 1.0 N B:MET154 4.5 12.4 1.0 N B:VAL152 4.6 14.9 1.0 CA B:VAL152 4.6 13.8 1.0 OG1 B:THR245 4.8 15.2 1.0 C5 B:NEI402 4.8 15.7 0.5 O B:HOH629 4.9 28.0 1.0

R.M.Immormino, D.T.Gewirth. N-Domain of GRP94 in Complex with the 2-Iodo-Neca To Be Published.