Zinc in PDB 8p0i: Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor

The structure of Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor, PDB code: 8p0i was solved by A.Mpakali, P.Giastas, E.Stratikos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.11 / 3.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.229, 255.121, 73.274, 90, 110, 90
R / Rfree (%)	24 / 27.7

The binding sites of Zinc atom in the Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor (pdb code 8p0i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor, PDB code: 8p0i:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor


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 the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1108 b:114.9 occ:1.00 OE1 A:GLU487 2.1 113.3 1.0 NE2 A:HIS468 2.2 115.9 1.0 NE2 A:HIS464 2.3 106.9 1.0 N26 A:WC31107 2.4 131.1 1.0 N34 A:WC31107 2.4 141.3 1.0 N28 A:WC31107 2.6 137.2 1.0 CD A:GLU487 2.7 121.2 1.0 OE2 A:GLU487 2.8 136.8 1.0 C27 A:WC31107 2.8 133.6 1.0 CD2 A:HIS468 2.9 117.1 1.0 CD2 A:HIS464 2.9 106.3 1.0 CE1 A:HIS464 3.3 106.6 1.0 CE1 A:HIS468 3.4 110.9 1.0 C32 A:WC31107 3.4 134.5 1.0 H191 A:WC31107 3.4 161.3 1.0 C17 A:WC31107 3.5 142.6 1.0 C29 A:WC31107 3.6 137.6 1.0 OE2 A:GLU431 3.6 134.7 1.0 OE2 A:GLU465 3.8 138.0 1.0 C19 A:WC31107 3.9 134.3 1.0 C31 A:WC31107 4.0 136.1 1.0 C18 A:WC31107 4.1 140.0 1.0 CG A:HIS464 4.1 103.3 1.0 CG A:HIS468 4.1 106.6 1.0 N35 A:WC31107 4.1 136.5 1.0 CD A:GLU431 4.2 128.6 1.0 CG A:GLU487 4.2 116.5 1.0 ND1 A:HIS464 4.2 104.0 1.0 H333 A:WC31107 4.3 144.8 1.0 ND1 A:HIS468 4.3 108.1 1.0 C33 A:WC31107 4.3 120.6 1.0 H331 A:WC31107 4.4 144.8 1.0 H301 A:WC31107 4.4 168.8 1.0 CD A:GLU465 4.5 125.7 1.0 C30 A:WC31107 4.6 140.6 1.0 OE1 A:GLU431 4.6 122.6 1.0 C16 A:WC31107 4.7 146.2 1.0 OE1 A:GLU465 4.7 121.3 1.0 C15 A:WC31107 4.9 142.2 1.0 C20 A:WC31107 4.9 132.3 1.0 H311 A:WC31107 4.9 163.4 1.0 CG A:GLU431 5.0 121.1 1.0 CA A:GLU487 5.0 109.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Open Conformation of Insulin-Regulated Aminopeptidase in Complex with A Small-Mw Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1108 b:105.5 occ:1.00 NE2 B:HIS468 2.2 124.6 1.0 OE2 B:GLU487 2.2 113.9 1.0 NE2 B:HIS464 2.2 124.8 1.0 N26 B:WC31107 2.3 148.9 1.0 CD B:GLU487 2.9 119.0 1.0 OE1 B:GLU487 2.9 141.2 1.0 CD2 B:HIS464 2.9 121.9 1.0 N34 B:WC31107 2.9 175.9 1.0 CE1 B:HIS464 3.0 112.6 1.0 C27 B:WC31107 3.0 153.4 1.0 CE1 B:HIS468 3.1 118.2 1.0 N28 B:WC31107 3.1 186.3 1.0 CD2 B:HIS468 3.1 124.0 1.0 C17 B:WC31107 3.3 147.2 1.0 OE2 B:GLU465 3.7 124.9 1.0 C18 B:WC31107 3.7 143.9 1.0 H251 B:WC31107 3.8 167.3 1.0 CG B:HIS464 3.9 114.2 1.0 ND1 B:HIS464 3.9 111.8 1.0 C25 B:WC31107 4.0 139.3 1.0 C32 B:WC31107 4.0 148.2 1.0 C29 B:WC31107 4.1 169.2 1.0 ND1 B:HIS468 4.2 113.5 1.0 CG B:HIS468 4.2 118.5 1.0 N35 B:WC31107 4.3 158.6 1.0 CG B:GLU487 4.3 114.7 1.0 CD B:GLU465 4.4 129.2 1.0 OE1 B:GLU465 4.5 123.5 1.0 C16 B:WC31107 4.6 155.7 1.0 C31 B:WC31107 4.6 156.3 1.0 C19 B:WC31107 4.6 143.3 1.0 OE1 B:GLU431 4.7 130.4 1.0 H301 B:WC31107 4.9 194.8 1.0 H331 B:WC31107 4.9 152.4 1.0 H191 B:WC31107 4.9 172.0 1.0 C33 B:WC31107 4.9 126.9 1.0 C15 B:WC31107 5.0 150.7 1.0 C24 B:WC31107 5.0 148.7 1.0 H333 B:WC31107 5.0 152.4 1.0

A.Mpakali, G.Georgaki, A.Buson, A.D.Findlay, J.S.Foot, F.X.Mauvais, P.Van Endert, P.Giastas, D.W.Hamprecht, E.Stratikos. Stabilization of the Open Conformation Omicron F Insulin-Regulated Aminopeptidase By A Novel Substrate-Selective Small-Molecule Inhibitor. Protein Sci. V. 33 E5151 2024.
ISSN: ESSN 1469-896X
PubMed: 39167040
DOI: 10.1002/PRO.5151