Zinc in PDB 4bd9: Structure of the Complex Between Smci and Human Carboxypeptidase A4

The structure of Structure of the Complex Between Smci and Human Carboxypeptidase A4, PDB code: 4bd9 was solved by M.Alonso-Del-Ribero, M.L.Reytor, S.A.Trejo, M.A.Chavez, F.X.Aviles, D.Reverter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.856 / 2.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	138.670, 138.670, 161.560, 90.00, 90.00, 120.00
R / Rfree (%)	22.31 / 25.38

The binding sites of Zinc atom in the Structure of the Complex Between Smci and Human Carboxypeptidase A4 (pdb code 4bd9). 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 Structure of the Complex Between Smci and Human Carboxypeptidase A4, PDB code: 4bd9:

Zinc binding site 1 out of 1 in the Structure of the Complex Between Smci and Human Carboxypeptidase A4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Complex Between Smci and Human Carboxypeptidase A4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:27.8 occ:1.00 OE1 A:GLU72 2.1 19.0 1.0 ND1 A:HIS196 2.1 24.5 1.0 ND1 A:HIS69 2.1 25.0 1.0 O A:HOH2032 2.2 28.9 1.0 CD A:GLU72 2.7 21.7 1.0 OE2 A:GLU72 2.8 23.1 1.0 CE1 A:HIS196 3.1 26.0 1.0 CG A:HIS196 3.1 26.4 1.0 CG A:HIS69 3.1 18.9 1.0 CE1 A:HIS69 3.1 24.1 1.0 CB A:HIS69 3.4 21.4 1.0 CB A:HIS196 3.4 24.9 1.0 N B:ILE1 3.7 29.9 1.0 O A:HOH2031 3.8 28.0 1.0 O A:HOH2046 4.2 19.0 1.0 NE2 A:HIS196 4.2 29.0 1.0 CD2 A:HIS196 4.2 27.2 1.0 NE2 A:HIS69 4.2 21.9 1.0 NH1 A:ARG127 4.2 22.6 1.0 CD2 A:HIS69 4.2 23.9 1.0 CG A:GLU72 4.2 17.9 1.0 CA A:HIS196 4.2 28.4 1.0 O A:SER197 4.5 25.7 1.0 N A:SER197 4.6 25.5 1.0 CA A:HIS69 4.7 19.7 1.0 OE2 A:GLU270 4.8 35.9 1.0 N A:HIS69 4.8 22.8 1.0 CB A:GLU72 4.9 18.6 1.0 CA B:ILE1 4.9 26.5 1.0 CG2 A:ILE68 4.9 22.4 1.0 CZ A:ARG127 4.9 26.7 1.0 OE1 A:GLU270 5.0 32.4 1.0 C A:HIS196 5.0 27.4 1.0

M.Alonso Del Rivero, M.L.Reytor, S.A.Trejo, M.A.Chavez, F.X.Aviles, D.Reverter. A Noncanonical Mechanism of Carboxypeptidase Inhibition Revealed By the Crystal Structure of the Tri-Kunitz Smci in Complex with Human CPA4. Structure V. 21 1118 2013.
ISSN: ISSN 0969-2126
PubMed: 23746805
DOI: 10.1016/J.STR.2013.04.021