Zinc in PDB 7sh0: Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule

The structure of Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule, PDB code: 7sh0 was solved by L.Li, M.Bouvier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.485, 135.949, 129.812, 90, 90.49, 90
R / Rfree (%)	20.7 / 25.4

The structure of Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule (pdb code 7sh0). 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 Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule, PDB code: 7sh0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule


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 Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:72.5 occ:1.00 OE1 A:GLU393 2.0 70.5 1.0 O21 A:GIY1002 2.1 100.2 1.0 O25 A:GIY1002 2.1 135.7 1.0 NE2 A:HIS374 2.3 75.7 1.0 NE2 A:HIS370 2.3 57.9 1.0 C11 A:GIY1002 2.7 99.5 1.0 N22 A:GIY1002 2.8 129.7 1.0 CD2 A:HIS374 2.9 82.0 1.0 CD A:GLU393 3.0 90.5 1.0 OE2 A:GLU393 3.2 108.5 1.0 CD2 A:HIS370 3.2 74.3 1.0 CE1 A:HIS370 3.3 74.6 1.0 CE1 A:HIS374 3.4 108.6 1.0 OE1 A:GLU337 4.0 102.9 1.0 CE2 A:TYR455 4.1 94.3 1.0 OH A:TYR455 4.2 86.0 1.0 CG A:HIS374 4.2 85.6 1.0 C05 A:GIY1002 4.2 66.6 1.0 OE2 A:GLU371 4.2 63.0 1.0 CG A:GLU393 4.4 72.7 1.0 ND1 A:HIS374 4.4 85.5 1.0 ND1 A:HIS370 4.4 77.2 1.0 CG A:HIS370 4.4 68.3 1.0 C23 A:GIY1002 4.6 70.9 1.0 CZ A:TYR455 4.6 86.5 1.0 C26 A:GIY1002 4.6 70.1 1.0 CD A:GLU337 4.6 88.2 1.0 OE2 A:GLU337 4.6 89.3 1.0 CA A:GLU393 4.7 72.0 1.0 NA A:NA1006 4.7 77.4 1.0 CB A:GLU393 4.8 75.6 1.0 C19 A:GIY1002 4.8 70.4 1.0 CB A:ALA396 4.8 69.6 1.0 C27 A:GIY1002 5.0 73.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule


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 Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Highly Selective and Potent Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:115.0 occ:1.00 OE1 B:GLU393 2.0 114.8 1.0 O21 B:GIY1002 2.1 136.0 1.0 O25 B:GIY1002 2.2 173.3 1.0 NE2 B:HIS374 2.3 110.1 1.0 NE2 B:HIS370 2.3 105.9 1.0 C11 B:GIY1002 2.8 118.2 1.0 CD B:GLU393 2.9 122.8 1.0 N22 B:GIY1002 2.9 139.7 1.0 CE1 B:HIS370 3.0 109.4 1.0 OE2 B:GLU393 3.1 107.7 1.0 CE1 B:HIS374 3.2 124.6 1.0 CD2 B:HIS374 3.2 125.8 1.0 CD2 B:HIS370 3.4 114.9 1.0 OE1 B:GLU337 3.9 124.5 1.0 CE2 B:TYR455 4.0 113.9 1.0 OH B:TYR455 4.1 137.8 1.0 ND1 B:HIS374 4.2 140.6 1.0 CG B:HIS374 4.3 132.3 1.0 ND1 B:HIS370 4.3 121.4 1.0 CG B:GLU393 4.3 127.3 1.0 C05 B:GIY1002 4.3 105.1 1.0 CZ B:TYR455 4.5 116.9 1.0 CG B:HIS370 4.5 113.2 1.0 OE2 B:GLU371 4.5 114.8 1.0 CD B:GLU337 4.6 121.8 1.0 C23 B:GIY1002 4.7 108.3 1.0 CA B:GLU393 4.7 113.3 1.0 CB B:GLU393 4.7 114.5 1.0 OE2 B:GLU337 4.7 117.4 1.0 CB B:ALA396 4.7 113.5 1.0 C26 B:GIY1002 4.8 108.0 1.0 C19 B:GIY1002 4.8 109.8 1.0 CD2 B:TYR455 5.0 126.5 1.0

L.Li, M.Bouvier. Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) Complex with A Ligand To Be Published.