Iodine in PDB 5r47: Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Cryo Temperature

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

The structure of Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Cryo Temperature, PDB code: 5r47 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)	55.91 / 1.10
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.525, 68.525, 96.685, 90, 90, 90
R / Rfree (%)	11.9 / 13.1

The binding sites of Iodine atom in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Cryo Temperature (pdb code 5r47). 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, Cryo Temperature, PDB code: 5r47:

Iodine binding site 1 out of 1 in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 5.6, Cryo 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, Cryo Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:13.0 occ:0.20 O B:HOH382 2.5 12.7 0.3 O B:HOH318 3.5 82.2 1.0 N B:THR62 3.8 11.2 1.0 CA B:THR61 3.9 10.7 1.0 CG2 B:THR62 4.1 14.5 1.0 CG2 B:VAL88 4.2 11.5 1.0 CB B:THR61 4.2 11.4 1.0 C B:THR61 4.4 10.7 1.0 CB B:VAL88 4.4 11.1 1.0 OG1 B:THR62 4.4 15.4 1.0 CG2 B:THR61 4.7 13.0 1.0 O B:VAL60 4.7 12.7 1.0 CB B:THR62 4.7 13.1 1.0 CA B:THR62 4.9 11.7 1.0 O B:HOH329 5.0 14.3 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.