Bromine in PDB 6qml: UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin

All present enzymatic activity of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin:
3.4.19.12;

The structure of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin, PDB code: 6qml was solved by A.G.Murachelli, T.K.Sixma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.30 / 2.10
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.290, 81.206, 159.858, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.3

The structure of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin also contains other interesting chemical elements:

Potassium	(K)	5 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Bromine atom in the UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin (pdb code 6qml). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin, PDB code: 6qml:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:94.1 occ:1.00 O A:HOH421 3.1 42.8 1.0 CA A:PRO48 3.8 44.1 1.0 CB A:ARG47 3.9 52.5 1.0 CB A:PRO48 3.9 46.8 1.0 CA A:GLU199 4.1 53.5 1.0 O A:GLU199 4.2 48.7 1.0 N A:PRO48 4.4 44.1 1.0 CG A:ARG47 4.5 51.7 1.0 CD A:ARG47 4.5 54.5 1.0 O A:ASP198 4.5 51.0 1.0 C A:GLU199 4.6 49.9 1.0 CB A:GLU199 4.6 61.9 1.0 O A:HOH475 4.7 43.8 1.0 CA A:ARG47 4.7 45.8 1.0 CG A:GLU199 4.7 73.4 1.0 C A:ARG47 4.8 46.2 1.0 CD A:PRO48 4.9 46.1 1.0 CG A:PRO48 4.9 50.0 1.0 N A:GLU199 5.0 49.1 1.0

Bromine binding site 2 out of 4 in the UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br101 b:87.6 occ:1.00 N B:GLU16 3.5 60.8 1.0 O B:GLU16 3.9 61.8 1.0 CD2 B:LEU15 4.0 55.1 1.0 CA B:LEU15 4.0 60.2 1.0 CD B:LYS29 4.2 59.3 1.0 CB B:LYS29 4.2 54.9 1.0 CG B:LYS29 4.2 58.0 1.0 C B:LEU15 4.3 59.5 1.0 CB B:LEU15 4.4 56.3 1.0 CA B:GLU16 4.4 67.2 1.0 CB B:GLU16 4.5 69.2 1.0 C B:GLU16 4.6 62.9 1.0 CG B:LEU15 4.8 54.5 1.0 O B:THR14 4.9 69.4 1.0 NZ B:LYS29 5.0 66.6 1.0

Bromine binding site 3 out of 4 in the UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ C:Br101 b:60.3 occ:0.49 O A:HOH449 3.1 48.6 1.0 N C:GLY75 3.3 60.8 1.0 CA C:GLY75 3.6 63.7 1.0 NH2 B:ARG42 3.8 59.6 1.0 OE1 A:GLU14 3.9 76.6 1.0 NE B:ARG42 4.0 52.4 1.0 CB C:LEU73 4.0 48.8 1.0 N C:ARG74 4.1 57.9 1.0 CZ B:ARG42 4.3 56.2 1.0 C C:ARG74 4.4 63.1 1.0 O C:HOH206 4.4 51.6 1.0 O C:GLY75 4.5 69.8 1.0 C C:GLY75 4.5 65.7 1.0 OE1 A:GLN156 4.5 46.4 1.0 C C:LEU73 4.6 51.3 1.0 CA C:ARG74 4.7 62.5 1.0 CD1 C:LEU73 4.7 50.9 1.0 CA C:LEU73 4.8 50.2 1.0 CG C:LEU73 4.9 51.6 1.0 CB C:ARG74 4.9 73.7 1.0 CD A:GLU14 4.9 71.9 1.0

Bromine binding site 4 out of 4 in the UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of UCHL3 in Complex with Synthetic, K27-Linked Diubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ F:Br101 b:79.9 occ:1.00 N F:GLU16 3.4 59.3 1.0 O F:GLU16 3.8 50.1 1.0 CA F:LEU15 3.8 55.6 1.0 CD F:LYS29 4.0 62.6 1.0 CD2 F:LEU15 4.0 52.4 1.0 C F:LEU15 4.1 56.5 1.0 CG F:LYS29 4.2 59.8 1.0 CB F:LYS29 4.2 58.7 1.0 CB F:LEU15 4.2 52.8 1.0 CA F:GLU16 4.3 61.0 1.0 CB F:GLU16 4.3 67.8 1.0 C F:GLU16 4.5 57.3 1.0 CG F:LEU15 4.8 49.4 1.0 O F:THR14 4.9 51.9 1.0 NZ F:LYS33 4.9 88.8 1.0

A.G.Murachelli, T.K.Sixma. UCHL3 Is Inhibited By LYS27-Linked Diubiquitin To Be Published.