Zinc in PDB 1iy7: Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex

All present enzymatic activity of Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex:
3.4.17.1;

The structure of Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex, PDB code: 1iy7 was solved by S.J.Kim, J.R.Woo, J.D.Park, D.H.Kim, S.E.Ryu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.04 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.688, 60.467, 47.256, 90.00, 82.55, 90.00
R / Rfree (%)	17.5 / 20.8

The binding sites of Zinc atom in the Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex (pdb code 1iy7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex, PDB code: 1iy7:

Zinc binding site 1 out of 1 in the Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Cpa and Sulfamide-Based Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn308 b:14.8 occ:1.00 N19 A:CXA500 1.9 14.7 1.0 ND1 A:HIS69 2.0 9.6 1.0 ND1 A:HIS196 2.1 9.5 1.0 OE1 A:GLU72 2.3 11.2 1.0 OE2 A:GLU72 2.5 11.4 1.0 CD A:GLU72 2.7 11.7 1.0 CG A:HIS69 3.0 9.0 1.0 CE1 A:HIS69 3.0 9.5 1.0 CE1 A:HIS196 3.1 11.1 1.0 CG A:HIS196 3.2 10.0 1.0 O21 A:CXA500 3.2 15.4 1.0 S18 A:CXA500 3.3 16.1 1.0 CB A:HIS69 3.3 9.1 1.0 CB A:HIS196 3.5 9.9 1.0 O A:SER197 4.0 11.9 1.0 NE2 A:HIS69 4.1 9.9 1.0 CD2 A:HIS69 4.1 8.7 1.0 CG A:GLU72 4.2 10.3 1.0 O A:HOH507 4.2 10.1 1.0 NE2 A:HIS196 4.2 10.7 1.0 O20 A:CXA500 4.3 16.2 1.0 CD2 A:HIS196 4.3 10.5 1.0 N17 A:CXA500 4.3 15.2 1.0 CA A:HIS196 4.4 11.1 1.0 NH2 A:ARG71 4.5 22.6 1.0 C13 A:CXA500 4.5 16.1 1.0 N A:SER197 4.5 11.2 1.0 O15 A:CXA500 4.7 15.2 1.0 NH1 A:ARG127 4.7 19.8 1.0 CA A:HIS69 4.7 9.8 1.0 C14 A:CXA500 4.9 15.6 1.0 OE2 A:GLU270 4.9 18.1 1.0 OE1 A:GLU270 5.0 19.9 1.0

J.D.Park, D.H.Kim, S.J.Kim, J.R.Woo, S.E.Ryu. Sulfamide-Based Inhibitors For Carboxypeptidase A. Novel Type Transition State Analogue Inhibitors For Zinc Proteases J.Med.Chem. V. 45 5295 2002.
ISSN: ISSN 0022-2623
PubMed: 12431056
DOI: 10.1021/JM020258V