Zinc in PDB 7z28: High-Resolution Crystal Structure of ERAP1 with Bound Bestatin Analogue Inhibitor

The structure of High-Resolution Crystal Structure of ERAP1 with Bound Bestatin Analogue Inhibitor, PDB code: 7z28 was solved by P.Giastas, A.Papakyriakou, E.Stratikos, D.Vourloumis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.05 / 1.55
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.651, 113.174, 140.165, 90, 90, 90
R / Rfree (%)	16.5 / 18.2

The binding sites of Zinc atom in the High-Resolution Crystal Structure of ERAP1 with Bound Bestatin Analogue Inhibitor (pdb code 7z28). 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 High-Resolution Crystal Structure of ERAP1 with Bound Bestatin Analogue Inhibitor, PDB code: 7z28:

Zinc binding site 1 out of 1 in the High-Resolution Crystal Structure of ERAP1 with Bound Bestatin Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of High-Resolution Crystal Structure of ERAP1 with Bound Bestatin Analogue Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:15.4 occ:1.00 OE1 A:GLU376 1.9 13.9 1.0 O9 A:I881003 2.0 16.4 1.0 NE2 A:HIS353 2.1 15.5 1.0 NE2 A:HIS357 2.2 15.7 1.0 O11 A:I881003 2.4 21.2 1.0 CD A:GLU376 2.8 15.2 1.0 C1 A:I881003 2.9 17.0 1.0 CD2 A:HIS353 2.9 16.3 1.0 C10 A:I881003 3.0 20.8 1.0 OE2 A:GLU376 3.0 15.7 1.0 CD2 A:HIS357 3.0 15.2 1.0 CE1 A:HIS357 3.2 14.4 1.0 CE1 A:HIS353 3.2 13.8 1.0 C2 A:I881003 3.5 16.8 1.0 N3 A:I881003 3.6 14.7 1.0 OH A:TYR438 4.0 18.3 1.0 CE2 A:TYR438 4.0 19.2 1.0 OE1 A:GLU354 4.1 17.0 1.0 CG A:HIS353 4.2 13.5 1.0 CG A:GLU376 4.2 15.6 1.0 CG A:HIS357 4.2 11.5 1.0 N12 A:I881003 4.2 21.4 1.0 ND1 A:HIS353 4.3 14.1 1.0 ND1 A:HIS357 4.3 14.0 1.0 CB A:ALA379 4.3 15.4 1.0 CZ A:TYR438 4.4 18.1 1.0 OE1 A:GLU320 4.4 14.4 1.0 OE2 A:GLU354 4.5 16.3 1.0 CA A:GLU376 4.6 15.3 1.0 CB A:GLU376 4.7 13.6 1.0 CD A:GLU354 4.7 16.2 1.0 CD A:GLU320 4.9 13.1 1.0 OE2 A:GLU320 4.9 15.8 1.0 C17 A:I881003 5.0 21.7 1.0 C4 A:I881003 5.0 21.5 1.0

D.Vourloumis, I.Mavridis, A.Athanasoulis, I.Temponeras, D.Koumantou, P.Giastas, A.Mpakali, V.Magrioti, J.Leib, P.Van Endert, E.Stratikos, A.Papakyriakou. Discovery of Selective Nanomolar Inhibitors For Insulin-Regulated Aminopeptidase Based on Alpha-Hydroxy-Beta-Amino Acid Derivatives of Bestatin. J.Med.Chem. V. 65 10098 2022.
ISSN: ISSN 0022-2623
PubMed: 35833347
DOI: 10.1021/ACS.JMEDCHEM.2C00904