Iodine in PDB 5r46: Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature

All present enzymatic activity of Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature:
3.4.21.1;

The structure of Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature, PDB code: 5r46 was solved by C.A.Kreinbring, M.A.Wilson, A.Y.Kovalevsky, M.P.Blakeley, S.Z.Fisher, L.M.Lazar, A.G.Moulin, W.R.Novak, G.A.Petsko, D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.64 / 1.05
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.447, 69.447, 97.863, 90, 90, 90
R / Rfree (%)	11.1 / 12.2

The binding sites of Iodine atom in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature (pdb code 5r46). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature, PDB code: 5r46:

Iodine binding site 1 out of 1 in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature


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 Deuterated Gamma-Chymotrypsin at pH 5.6, Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:16.0 occ:0.20 O B:HOH343 2.5 23.3 0.4 O B:HOH377 3.5 22.8 1.0 N B:THR62 4.0 15.0 1.0 CA B:THR61 4.1 13.6 1.0 CG2 B:THR62 4.2 20.6 1.0 CG2 B:VAL88 4.3 16.4 1.0 CB B:THR61 4.3 15.3 1.0 OG1 B:THR62 4.4 21.3 1.0 C B:THR61 4.5 13.5 1.0 CB B:VAL88 4.6 14.6 1.0 CG2 B:THR61 4.7 17.5 1.0 O B:VAL60 4.8 15.3 1.0 CB B:THR62 4.8 18.0 1.0 O B:HOH348 4.9 25.2 1.0

C.A.Kreinbring, M.A.Wilson, A.Y.Kovalevsky, M.P.Blakeley, S.Z.Fisher, L.M.Lazar, A.G.Moulin, W.R.Novak, G.A.Petsko, D.Ringe. Effect of Temperature and pH on Ionizable Residues in Gamma-Chymotrypsin: A X-Ray and Neutron Crystallography Study To Be Published.