Zinc in PDB 7nup: Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand

The structure of Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand, PDB code: 7nup 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)	48.66 / 3.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.273, 127.186, 133.412, 90.92, 90.08, 90.87
R / Rfree (%)	18.2 / 26.7

The structure of Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand also contains other interesting chemical elements:

Bromine

(Br)

13 atoms

The binding sites of Zinc atom in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand (pdb code 7nup). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand, PDB code: 7nup:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:35.0 occ:1.00 OE1 A:GLU393 1.7 20.1 1.0 NE2 A:HIS370 2.0 32.3 1.0 NE2 A:HIS374 2.1 27.6 1.0 O25 A:USK1008 2.2 53.2 1.0 O26 A:USK1008 2.4 65.5 1.0 CD A:GLU393 2.7 25.2 1.0 CD2 A:HIS374 2.9 26.1 1.0 CD2 A:HIS370 2.9 32.4 1.0 N24 A:USK1008 3.0 53.2 1.0 C23 A:USK1008 3.0 63.0 1.0 CE1 A:HIS370 3.1 33.0 1.0 OE2 A:GLU393 3.2 27.8 1.0 CE1 A:HIS374 3.2 29.5 1.0 CE2 A:TYR455 4.0 16.8 1.0 OH A:TYR455 4.0 26.0 1.0 CG A:GLU393 4.0 22.2 1.0 CG A:HIS370 4.1 27.8 1.0 CG A:HIS374 4.1 21.5 1.0 ND1 A:HIS370 4.1 29.9 1.0 ND1 A:HIS374 4.2 21.0 1.0 CB A:GLU393 4.4 17.8 1.0 OE1 A:GLU337 4.4 36.7 1.0 CZ A:TYR455 4.5 21.4 1.0 OE1 A:GLU371 4.5 41.1 1.0 C22 A:USK1008 4.5 61.8 1.0 CB A:ALA396 4.5 16.5 1.0 CA A:GLU393 4.6 18.2 1.0 CD A:GLU337 4.7 32.9 1.0 OE2 A:GLU337 4.7 37.6 1.0 OE2 A:GLU371 4.9 45.1 1.0

Zinc binding site 2 out of 4 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:32.9 occ:1.00 OE2 B:GLU393 1.9 27.7 1.0 NE2 B:HIS374 2.1 19.2 1.0 O26 B:USK1005 2.2 80.7 1.0 NE2 B:HIS370 2.2 23.1 1.0 O25 B:USK1005 2.2 71.9 1.0 CD B:GLU393 2.6 28.7 1.0 OE1 B:GLU393 2.7 32.7 1.0 C23 B:USK1005 2.9 79.0 1.0 N24 B:USK1005 3.0 81.5 1.0 CE1 B:HIS374 3.0 22.2 1.0 CE1 B:HIS370 3.1 23.0 1.0 CD2 B:HIS374 3.1 18.9 1.0 CD2 B:HIS370 3.2 22.8 1.0 CE2 B:TYR455 4.1 32.8 1.0 CG B:GLU393 4.1 28.2 1.0 ND1 B:HIS374 4.1 19.9 1.0 ND1 B:HIS370 4.2 24.9 1.0 OE1 B:GLU371 4.2 49.3 1.0 CG B:HIS374 4.2 19.3 1.0 OH B:TYR455 4.3 44.0 1.0 CG B:HIS370 4.3 21.3 1.0 OE2 B:GLU371 4.3 52.0 1.0 C22 B:USK1005 4.4 79.4 1.0 CZ B:TYR455 4.6 39.0 1.0 CD B:GLU371 4.6 46.0 1.0 OE2 B:GLU337 4.7 43.2 1.0 CB B:GLU393 4.7 26.5 1.0 CA B:GLU393 4.7 21.8 1.0 CB B:ALA396 4.7 22.0 1.0 C15 B:USK1005 4.9 115.2 1.0 OE1 B:GLU337 4.9 43.7 1.0 CD B:GLU337 4.9 42.6 1.0 C21 B:USK1005 5.0 84.5 1.0

Zinc binding site 3 out of 4 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1001 b:47.4 occ:1.00 OE2 C:GLU393 1.7 43.6 1.0 NE2 C:HIS374 1.9 32.1 1.0 O25 C:USK1006 2.0 52.1 1.0 O26 C:USK1006 2.2 39.2 1.0 NE2 C:HIS370 2.2 31.5 1.0 CD C:GLU393 2.5 45.0 1.0 OE1 C:GLU393 2.6 43.6 1.0 CD2 C:HIS374 2.7 34.6 1.0 N24 C:USK1006 2.8 48.8 1.0 C23 C:USK1006 2.9 44.1 1.0 CD2 C:HIS370 3.0 30.5 1.0 CE1 C:HIS374 3.0 39.1 1.0 CE1 C:HIS370 3.3 29.7 1.0 CG C:HIS374 3.9 34.4 1.0 CG C:GLU393 4.0 44.5 1.0 ND1 C:HIS374 4.0 35.7 1.0 OE1 C:GLU371 4.2 45.9 1.0 CG C:HIS370 4.2 27.3 1.0 ND1 C:HIS370 4.3 29.0 1.0 CE2 C:TYR455 4.3 46.1 1.0 C22 C:USK1006 4.4 52.0 1.0 OE2 C:GLU371 4.5 55.7 1.0 CB C:ALA396 4.5 47.0 1.0 OH C:TYR455 4.5 38.3 1.0 OE2 C:GLU337 4.6 56.0 1.0 OE1 C:GLU337 4.6 52.5 1.0 CA C:GLU393 4.6 40.3 1.0 CD C:GLU371 4.6 48.2 1.0 CB C:GLU393 4.6 42.3 1.0 CD C:GLU337 4.8 50.2 1.0 CZ C:TYR455 4.9 41.2 1.0

Zinc binding site 4 out of 4 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1001 b:41.1 occ:1.00 OE2 D:GLU393 1.9 40.1 1.0 NE2 D:HIS374 1.9 43.5 1.0 O25 D:USK1006 2.0 71.1 1.0 O26 D:USK1006 2.0 55.5 1.0 NE2 D:HIS370 2.2 53.1 1.0 CD2 D:HIS374 2.7 42.2 1.0 C23 D:USK1006 2.8 74.6 1.0 N24 D:USK1006 2.8 90.0 1.0 CD D:GLU393 3.0 36.4 1.0 CD2 D:HIS370 3.0 51.4 1.0 CE1 D:HIS374 3.1 44.2 1.0 CE1 D:HIS370 3.3 53.1 1.0 OE1 D:GLU371 3.3 76.7 1.0 OE1 D:GLU393 3.3 35.1 1.0 CG D:HIS374 4.0 38.5 1.0 CE2 D:TYR455 4.0 36.4 1.0 ND1 D:HIS374 4.1 43.2 1.0 CG D:HIS370 4.2 52.3 1.0 OH D:TYR455 4.2 39.2 1.0 C22 D:USK1006 4.3 85.6 1.0 CG D:GLU393 4.3 37.3 1.0 ND1 D:HIS370 4.3 52.6 1.0 CB D:ALA396 4.4 39.5 1.0 CD D:GLU371 4.4 68.4 1.0 OE1 D:GLU337 4.5 64.6 1.0 CB D:GLU393 4.6 38.4 1.0 CA D:GLU393 4.6 39.0 1.0 CZ D:TYR455 4.6 36.2 1.0 OE2 D:GLU371 4.7 65.6 1.0 CD D:GLU337 4.8 57.3 1.0 OE2 D:GLU337 4.8 63.6 1.0 C21 D:USK1006 4.9 90.4 1.0 CD2 D:TYR455 5.0 37.6 1.0

A.Mpakali, P.Giastas, E.Stratikos. Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand To Be Published.