Iodine in PDB 5r4b: Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature

All present enzymatic activity of Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature:
3.4.21.1;

The structure of Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature, PDB code: 5r4b 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)	56.11 / 1.05
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.149, 69.149, 96.024, 90, 90, 90
R / Rfree (%)	12.5 / 14.6

The binding sites of Iodine atom in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature (pdb code 5r4b). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature, PDB code: 5r4b:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, 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 9, Cryo Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:288.4 occ:0.15 I B:IOD202 1.1 182.3 0.1 O B:HOH523 2.7 16.5 0.2 CB B:THR61 3.4 11.3 0.5 O B:HOH450 3.5 25.3 1.0 CA B:THR61 3.7 10.3 0.5 CG2 B:THR61 3.7 12.0 0.5 N B:THR62 3.8 11.8 0.5 N B:THR62 3.8 14.7 0.5 CA B:THR61 4.1 12.6 0.5 CG2 B:THR62 4.1 16.8 0.5 OG1 B:THR62 4.3 17.0 0.5 C B:THR61 4.3 9.9 0.5 OG1 B:THR62 4.4 14.5 0.5 CB B:THR61 4.5 13.5 0.5 C B:THR61 4.5 13.4 0.5 CG2 B:VAL88 4.5 13.6 1.0 O B:HOH489 4.5 44.8 1.0 OG1 B:THR61 4.6 12.1 0.5 CB B:THR62 4.7 15.2 0.5 CG2 B:THR62 4.7 13.9 0.5 O B:VAL60 4.7 12.2 0.5 CB B:VAL88 4.8 13.0 1.0 O B:VAL60 4.8 10.9 0.5 CA B:THR62 4.9 13.9 0.5 O B:HOH305 4.9 23.7 1.0 CG2 B:THR61 4.9 14.8 0.5 CB B:THR62 5.0 13.1 0.5 CA B:THR62 5.0 11.9 0.5 N B:THR61 5.0 9.8 0.5

Iodine binding site 2 out of 2 in the Crystal Structure of Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature


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 Deuterated Gamma-Chymotrypsin at pH 9, Cryo Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:I202 b:182.3 occ:0.10 I B:IOD201 1.1 288.4 0.1 O B:HOH450 3.1 25.3 1.0 O B:HOH489 3.4 44.8 1.0 CG2 B:THR62 3.6 16.8 0.5 OG1 B:THR62 3.8 17.0 0.5 OG1 B:THR62 3.8 14.5 0.5 O B:HOH523 3.8 16.5 0.2 N B:THR62 4.0 11.8 0.5 N B:THR62 4.1 14.7 0.5 CB B:THR61 4.1 11.3 0.5 CG2 B:THR62 4.2 13.9 0.5 CB B:THR62 4.2 15.2 0.5 O B:HOH455 4.4 24.6 1.0 CA B:THR61 4.4 10.3 0.5 CB B:THR62 4.5 13.1 0.5 CG2 B:THR61 4.7 12.0 0.5 C B:THR61 4.8 9.9 0.5 CA B:THR62 4.8 13.9 0.5 CA B:THR61 4.9 12.6 0.5 CA B:THR62 4.9 11.9 0.5 CG2 B:VAL88 4.9 13.6 1.0 C B:THR61 5.0 13.4 0.5

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.