Zinc in PDB 3i1u: Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator

All present enzymatic activity of Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator:
3.4.17.1;

The structure of Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator, PDB code: 3i1u was solved by D.Fernandez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.54 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.319, 57.504, 57.080, 90.00, 99.14, 90.00
R / Rfree (%)	14.8 / 16.2

The binding sites of Zinc atom in the Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator (pdb code 3i1u). 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 Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator, PDB code: 3i1u:

Zinc binding site 1 out of 1 in the Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inactivator within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:5.3 occ:1.00 OE2 A:GLU72 2.0 5.1 1.0 ND1 A:HIS69 2.1 4.8 1.0 ND1 A:HIS196 2.1 5.5 1.0 S1 A:BTW402 2.3 5.5 1.0 CD A:GLU72 2.9 5.5 1.0 CE1 A:HIS196 2.9 6.2 1.0 CE1 A:HIS69 3.0 5.4 1.0 OE1 A:GLU72 3.0 5.2 1.0 CG A:HIS69 3.2 4.7 1.0 CG A:HIS196 3.2 5.5 1.0 C4 A:BTW402 3.3 6.0 1.0 C3 A:BTW402 3.4 5.5 1.0 CB A:HIS69 3.6 4.6 1.0 CB A:HIS196 3.7 4.8 1.0 C2 A:BTW402 3.9 6.0 1.0 O A:HOH325 3.9 7.3 1.0 NE2 A:HIS196 4.1 6.2 1.0 O A:SER197 4.1 5.4 1.0 NE2 A:HIS69 4.1 5.2 1.0 C11 A:BTW402 4.2 5.7 1.0 O1 A:BTW402 4.2 5.3 1.0 CD2 A:HIS69 4.3 5.5 1.0 NH1 A:ARG127 4.3 5.9 1.0 CD2 A:HIS196 4.3 5.7 1.0 CG A:GLU72 4.3 5.1 1.0 O A:HOH493 4.3 21.2 1.0 O A:HOH331 4.6 6.5 1.0 CA A:HIS196 4.7 4.7 1.0 OE2 A:GLU270 4.8 4.9 1.0 O2 A:BTW402 4.9 5.8 1.0 CZ A:ARG127 4.9 6.2 1.0 CA A:HIS69 5.0 4.9 1.0 N A:SER197 5.0 4.8 1.0

D.Fernandez, S.Testero, J.Vendrell, F.X.Aviles, S.Mobashery. The X-Ray Structure of Carboxypeptidase A Inhibited By A Thiirane Mechanism-Based Inhibitor Chem.Biol.Drug Des. V. 75 29 2010.
ISSN: ISSN 1747-0277
PubMed: 19895506
DOI: 10.1111/J.1747-0285.2009.00907.X