Iodine in PDB 1czi: Chymosin Complex with the Inhibitor Cp-113972

All present enzymatic activity of Chymosin Complex with the Inhibitor Cp-113972:
3.4.23.4;

The structure of Chymosin Complex with the Inhibitor Cp-113972, PDB code: 1czi was solved by M.R.Groves, V.Dhanaraj, J.E.Pitts, M.Badasso, D.Hoover, P.Nugent, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.97 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	132.780, 132.780, 81.950, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Iodine atom in the Chymosin Complex with the Inhibitor Cp-113972 (pdb code 1czi). 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 Chymosin Complex with the Inhibitor Cp-113972, PDB code: 1czi:

Iodine binding site 1 out of 1 in the Chymosin Complex with the Inhibitor Cp-113972


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Chymosin Complex with the Inhibitor Cp-113972 within 5.0Å range: probe atom residue distance (Å) B Occ P:I3 b:0.0 occ:1.00 I P:PHI3 0.0 0.0 1.0 CZ P:PHI3 1.4 0.1 1.0 CE2 P:PHI3 2.4 0.4 1.0 CE1 P:PHI3 2.4 1.0 1.0 NE2 E:GLN13 2.9 1.2 1.0 CD2 P:PHI3 3.7 0.1 1.0 CD1 P:PHI3 3.7 0.3 1.0 CA E:ALA115 3.9 0.0 1.0 N E:ALA115 3.9 0.4 1.0 O E:TYR114 3.9 0.3 1.0 O E:VAL111 3.9 0.3 1.0 CD E:GLN13 4.0 0.2 1.0 C E:TYR114 4.0 0.0 1.0 O E:HOH544 4.0 0.8 1.0 CG P:PHI3 4.3 0.2 1.0 CB E:ALA115 4.3 0.1 1.0 CG E:GLN13 4.7 0.2 1.0 OE1 E:GLN13 4.8 0.0 1.0 CB E:TYR114 5.0 0.2 1.0 CA E:TYR114 5.0 0.0 1.0

M.R.Groves, V.Dhanaraj, M.Badasso, P.Nugent, J.E.Pitts, D.J.Hoover, T.L.Blundell. A 2.3 A Resolution Structure of Chymosin Complexed with A Reduced Bond Inhibitor Shows That the Active Site Beta-Hairpin Flap Is Rearranged When Compared with the Native Crystal Structure. Protein Eng. V. 11 833 1998.
ISSN: ISSN 0269-2139
PubMed: 9862200
DOI: 10.1093/PROTEIN/11.10.833