Bromine 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:

Zinc

(Zn)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Bromine 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 Bromine atom.
In total 13 binding sites of Bromine where determined in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand, PDB code: 7nup:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br1011 b:299.9 occ:1.00 C33 A:USK1008 3.9 37.4 1.0 CB A:PRO333 4.2 36.3 1.0 C32 A:USK1008 4.2 36.5 1.0 C22 A:USK1008 4.4 61.8 1.0 O A:GLU200 4.5 32.4 1.0 C28 A:USK1008 4.6 58.5 1.0 OE2 A:GLU200 4.7 48.4 1.0 CB A:GLU200 5.0 30.6 1.0

Bromine binding site 2 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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 A:Br1012 b:218.8 occ:1.00 CZ A:TYR317 3.8 29.9 1.0 O A:GLU311 4.0 38.1 1.0 CE1 A:TYR317 4.0 24.0 1.0 CE2 A:TYR317 4.0 25.6 1.0 OH A:TYR317 4.2 38.9 1.0 C A:GLU311 4.3 28.8 1.0 CD1 A:TYR317 4.3 23.2 1.0 CD2 A:TYR317 4.4 24.5 1.0 CA A:LYS312 4.4 23.0 1.0 CG A:TYR317 4.5 23.4 1.0 CA A:ASP315 4.6 27.2 1.0 OD1 A:ASP315 4.6 46.1 1.0 N A:LYS312 4.6 22.0 1.0 C A:ASP315 4.7 28.6 1.0 N A:ILE316 4.7 23.2 1.0 N A:TYR317 4.8 28.6 1.0 CB A:GLU311 4.9 25.9 1.0

Bromine binding site 3 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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 A:Br1013 b:302.0 occ:1.00 N A:SER906 3.1 35.7 1.0 N A:SER907 3.5 32.1 1.0 CB A:SER907 3.6 40.4 1.0 CA A:PHE905 3.6 27.4 1.0 CB A:PHE905 3.8 27.1 1.0 C A:PHE905 3.9 25.1 1.0 CG A:LYS910 3.9 28.9 1.0 C A:SER906 4.0 47.6 1.0 CD1 A:PHE905 4.0 25.1 1.0 OG A:SER907 4.1 43.1 1.0 CA A:SER906 4.1 41.5 1.0 CD A:ARG713 4.2 27.8 1.0 CA A:SER907 4.2 30.1 1.0 CB A:LYS910 4.2 28.5 1.0 OG A:SER906 4.2 41.6 1.0 CG A:PHE905 4.3 25.4 1.0 NE A:ARG713 4.4 29.1 1.0 CB A:SER906 4.7 38.5 1.0 CZ A:ARG713 4.8 29.4 1.0 NH1 A:ARG713 4.8 28.6 1.0 O A:SER906 4.9 56.5 1.0 N A:PHE905 5.0 31.9 1.0

Bromine binding site 4 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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 A:Br1014 b:170.9 occ:1.00 OD2 A:ASP909 3.2 61.6 1.0 N A:LYS908 3.7 31.2 1.0 CB A:SER907 4.1 40.4 1.0 CA A:SER907 4.3 30.1 1.0 CB A:LYS908 4.3 34.3 1.0 N A:ASP909 4.3 34.7 1.0 CG A:ASP909 4.4 54.0 1.0 NH2 A:ARG713 4.4 30.6 1.0 C A:SER907 4.4 34.5 1.0 CA A:LYS908 4.5 36.6 1.0 OG A:SER907 4.5 43.1 1.0 CG A:LYS908 4.9 33.3 1.0 C A:LYS908 4.9 41.5 1.0

Bromine binding site 5 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 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:Br1015 b:282.5 occ:1.00 N A:GLU346 3.2 26.9 1.0 N A:THR347 3.3 16.8 1.0 CB A:ARG345 3.5 34.8 1.0 C A:ARG345 3.6 20.3 1.0 CB A:GLU346 3.7 24.0 1.0 CD A:ARG345 3.7 19.1 1.0 CA A:GLU346 3.8 23.4 1.0 CA A:ARG345 3.9 23.1 1.0 CG A:ARG345 4.0 28.2 1.0 CB A:THR347 4.0 18.4 1.0 C A:GLU346 4.0 23.5 1.0 CG2 A:THR347 4.1 16.9 1.0 O A:PRO329 4.2 62.2 1.0 CG A:GLU346 4.2 37.3 1.0 O A:ARG345 4.3 21.4 1.0 CA A:THR347 4.3 16.9 1.0 O A:ILE328 4.4 28.3 1.0 NH1 A:ARG345 4.5 26.8 1.0 CB A:SER818 4.6 27.0 1.0 CA A:PRO329 4.7 48.6 1.0 OE1 A:GLU346 4.8 43.4 1.0 NE A:ARG345 4.9 25.8 1.0 C A:PRO329 4.9 58.1 1.0 CD A:GLU346 5.0 43.0 1.0

Bromine binding site 6 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 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:Br1016 b:268.3 occ:1.00 SG A:CYS766 2.8 57.0 0.7 NE1 A:TRP739 3.5 29.1 1.0 CB A:CYS766 4.2 52.9 0.7 CA A:CYS766 4.2 54.6 0.7 CA A:CYS766 4.2 54.5 0.3 CE2 A:TRP739 4.3 28.1 1.0 O A:PRO765 4.3 67.2 1.0 CB A:CYS766 4.3 53.4 0.3 CZ2 A:TRP739 4.3 27.4 1.0 N A:CYS766 4.4 59.4 1.0 C A:PRO765 4.5 66.7 1.0 CD1 A:TRP739 4.6 29.5 1.0 CD2 A:LEU755 4.8 26.7 1.0 CB A:PRO765 4.9 63.9 1.0

Bromine binding site 7 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 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:Br1017 b:285.0 occ:1.00 O A:ALA332 3.2 57.5 1.0 NH2 A:ARG345 3.6 31.0 1.0 C07 A:USK1008 3.7 94.6 1.0 C12 A:USK1008 3.8 91.4 1.0 N A:GLY334 3.9 30.6 1.0 C05 A:USK1008 3.9 87.3 1.0 C08 A:USK1008 4.0 92.8 1.0 CD2 A:TYR892 4.1 32.7 1.0 C06 A:USK1008 4.2 94.2 1.0 C11 A:USK1008 4.2 87.0 1.0 C A:PRO333 4.3 36.8 1.0 C09 A:USK1008 4.4 90.2 1.0 CE2 A:TYR892 4.4 35.1 1.0 C A:ALA332 4.4 49.4 1.0 CA A:GLY334 4.4 29.7 1.0 CA A:PRO333 4.4 32.6 1.0 C10 A:USK1008 4.5 85.3 1.0 NE A:ARG345 4.5 25.8 1.0 CZ A:ARG345 4.5 32.4 1.0 C27 A:USK1008 4.8 65.3 1.0 O A:PRO333 4.9 41.5 1.0 N A:PRO333 4.9 28.7 1.0

Bromine binding site 8 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 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:Br1018 b:188.0 occ:1.00 NH1 A:ARG366 3.2 40.0 1.0 N A:TRP363 3.9 28.2 1.0 O A:SER359 4.0 46.9 1.0 CA A:TRP363 4.0 18.3 1.0 CG A:LEU362 4.0 18.6 1.0 CB A:TRP363 4.1 17.1 1.0 CE3 A:TRP363 4.2 20.5 1.0 CD A:ARG366 4.2 21.5 1.0 CZ A:ARG366 4.3 34.5 1.0 CD2 A:LEU362 4.3 19.2 1.0 C A:LEU362 4.4 18.1 1.0 CB A:LEU362 4.4 18.6 1.0 NE A:ARG366 4.7 21.8 1.0 CE1 A:TYR416 4.8 67.1 1.0 O A:LEU362 4.8 21.9 1.0 CD2 A:TRP363 4.9 17.8 1.0 C A:SER359 4.9 48.7 1.0 OH A:TYR416 4.9 72.9 1.0 CG A:TRP363 4.9 17.5 1.0 CZ A:TYR416 5.0 70.2 1.0

Bromine binding site 9 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 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:Br1007 b:262.2 occ:1.00 C22 B:USK1005 3.8 79.4 1.0 N24 B:USK1005 4.1 81.5 1.0 CB B:PRO333 4.3 47.5 1.0 C33 B:USK1005 4.3 73.6 1.0 C23 B:USK1005 4.4 79.0 1.0 C28 B:USK1005 4.5 75.9 1.0 OE2 B:GLU200 4.6 33.6 1.0 C27 B:USK1005 4.7 83.0 1.0 C32 B:USK1005 4.8 91.1 1.0 C21 B:USK1005 4.8 84.5 1.0 O B:GLU200 4.9 49.1 1.0 CD2 B:PHE450 4.9 24.9 1.0 CE2 B:PHE450 5.0 26.4 1.0 OH B:TYR455 5.0 44.0 1.0 CG B:GLU200 5.0 34.0 1.0

Bromine binding site 10 out of 13 in the Endoplasmic Reticulum Aminopeptidase 2 Complexed with A Mixed Hydroxamic and Sulfonyl Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 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:Br1008 b:290.3 occ:1.00 NH1 B:ARG366 3.3 47.6 1.0 CD B:ARG366 4.0 42.2 1.0 CD2 B:LEU362 4.0 20.2 1.0 CG B:LEU362 4.0 19.8 1.0 N B:TRP363 4.1 26.8 1.0 CE3 B:TRP363 4.2 18.4 1.0 CA B:TRP363 4.2 20.8 1.0 O B:SER359 4.3 43.4 1.0 CB B:LEU362 4.3 19.8 1.0 CZ B:ARG366 4.4 51.7 1.0 CB B:TRP363 4.4 18.5 1.0 C B:LEU362 4.4 25.2 1.0 NE B:ARG366 4.6 51.5 1.0 CZ B:TYR416 4.6 57.8 1.0 OH B:TYR416 4.8 63.4 1.0 CE2 B:TYR416 4.9 49.6 1.0 O B:LEU362 4.9 22.3 1.0 CE1 B:TYR416 4.9 55.9 1.0

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