Iodine in PDB 5r4d: Crystal Structure of Gamma-Chymotrypsin at pH 9, Cryo Temperature

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

The structure of Crystal Structure of Gamma-Chymotrypsin at pH 9, Cryo Temperature, PDB code: 5r4d 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)	56.03 / 1.05
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.067, 69.067, 95.803, 90, 90, 90
R / Rfree (%)	12.2 / 14

The binding sites of Iodine atom in the Crystal Structure of Gamma-Chymotrypsin at pH 9, Cryo Temperature (pdb code 5r4d). 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 Gamma-Chymotrypsin at pH 9, Cryo Temperature, PDB code: 5r4d:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of 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 Gamma-Chymotrypsin at pH 9, Cryo Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:256.4 occ:0.10 I B:IOD202 1.3 91.8 0.1 O B:HOH370 2.7 16.5 0.2 CB B:THR61 3.3 13.4 0.5 CG2 B:THR61 3.6 14.0 0.5 CA B:THR61 3.6 13.0 0.5 O B:HOH446 3.7 25.5 1.0 N B:THR62 3.8 13.5 0.5 N B:THR62 3.9 15.3 0.5 CA B:THR61 4.0 14.4 0.5 CB B:THR61 4.2 17.0 0.5 C B:THR61 4.3 12.6 0.5 CG2 B:THR62 4.4 17.8 0.5 OG1 B:THR62 4.4 18.2 0.5 C B:THR61 4.4 14.7 0.5 OG1 B:THR62 4.5 17.8 0.5 OG1 B:THR61 4.5 13.8 0.5 CG2 B:VAL88 4.5 13.2 1.0 O B:VAL60 4.7 12.5 0.5 CG2 B:THR61 4.7 18.4 0.5 O B:VAL60 4.7 12.0 0.5 CG2 B:THR62 4.7 16.9 0.5 O B:HOH498 4.8 33.2 0.5 CB B:VAL88 4.8 12.8 1.0 CB B:THR62 4.8 16.0 0.5 N B:THR61 4.9 11.6 0.5 O B:HOH315 4.9 24.6 1.0 CA B:THR62 5.0 14.6 0.5 CB B:THR62 5.0 15.4 0.5

Iodine binding site 2 out of 2 in the Crystal Structure of 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 Gamma-Chymotrypsin at pH 9, Cryo Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:I202 b:91.8 occ:0.10 I B:IOD201 1.3 256.4 0.1 O B:HOH446 3.3 25.5 1.0 O B:HOH498 3.5 33.2 0.5 OG1 B:THR62 3.8 17.8 0.5 OG1 B:THR62 3.9 18.2 0.5 O B:HOH370 3.9 16.5 0.2 CG2 B:THR62 3.9 17.8 0.5 N B:THR62 4.1 13.5 0.5 CB B:THR61 4.1 13.4 0.5 N B:THR62 4.2 15.3 0.5 CG2 B:THR62 4.3 16.9 0.5 CB B:THR62 4.4 16.0 0.5 CA B:THR61 4.5 13.0 0.5 CB B:THR62 4.6 15.4 0.5 CG2 B:THR61 4.6 14.0 0.5 O B:HOH435 4.7 27.0 1.0 C B:THR61 4.9 12.6 0.5 CA B:THR61 4.9 14.4 0.5 CA B:THR62 4.9 14.6 0.5 CA B:THR62 5.0 13.8 0.5 O B:HOH315 5.0 24.6 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.