Bromine in PDB 4m5x: Crystal Structure of the USP7/Hausp Catalytic Domain

All present enzymatic activity of Crystal Structure of the USP7/Hausp Catalytic Domain:
3.4.19.12;

The structure of Crystal Structure of the USP7/Hausp Catalytic Domain, PDB code: 4m5x was solved by A.D.Mesecar, K.L.Molland, Q.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.18 / 2.19
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.951, 67.579, 76.805, 90.00, 96.21, 90.00
R / Rfree (%)	18 / 22.1

The binding sites of Bromine atom in the Crystal Structure of the USP7/Hausp Catalytic Domain (pdb code 4m5x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the USP7/Hausp Catalytic Domain, PDB code: 4m5x:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of the USP7/Hausp Catalytic Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the USP7/Hausp Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:72.5 occ:1.00 O A:HOH798 2.6 24.1 1.0 O A:HOH787 3.0 36.7 1.0 CD A:PRO428 3.8 28.5 1.0 O A:GLU426 3.8 31.9 1.0 N A:PRO428 3.9 29.3 1.0 CB A:ASN359 3.9 32.9 1.0 C A:GLU426 3.9 32.2 1.0 CA A:PHE427 3.9 28.5 1.0 C A:PHE427 3.9 28.2 1.0 N A:PHE427 4.0 27.7 1.0 CB A:GLU426 4.1 33.0 1.0 CB A:PRO428 4.2 29.3 1.0 CG A:PRO428 4.3 29.6 1.0 CG A:ASN359 4.4 32.7 1.0 CA A:PRO428 4.5 27.1 1.0 O A:PHE427 4.5 28.0 1.0 ND2 A:ASN359 4.6 32.6 1.0 CA A:GLU426 4.7 33.0 1.0 OE1 A:GLU426 4.8 49.3 1.0 N A:ILE360 4.8 29.7 1.0 CG2 A:ILE360 4.9 36.4 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of the USP7/Hausp Catalytic Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the USP7/Hausp Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:56.4 occ:1.00 NE2 A:GLN219 3.3 38.6 1.0 CA A:GLY275 3.6 25.9 1.0 CB A:LYS277 3.7 38.3 1.0 N A:LYS277 3.7 29.5 1.0 CG A:LYS277 3.7 37.3 1.0 C A:GLY275 3.8 30.2 1.0 N A:THR276 3.9 28.6 1.0 CD A:LYS277 4.1 34.4 1.0 OE1 A:GLN219 4.2 36.5 1.0 CD A:GLN219 4.2 37.1 1.0 CA A:LYS277 4.3 34.7 1.0 O A:GLY275 4.5 29.9 1.0 N A:GLY275 4.7 26.4 1.0 O A:HOH785 4.7 56.1 1.0 C A:THR276 4.7 28.0 1.0 CA A:THR276 4.8 28.0 1.0 O A:HOH720 4.9 45.4 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of the USP7/Hausp Catalytic Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the USP7/Hausp Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:45.0 occ:1.00 O B:HOH702 3.1 35.1 1.0 NE2 B:GLN219 3.3 29.2 1.0 CB B:LYS277 3.5 28.2 1.0 CA B:GLY275 3.6 32.4 1.0 CG B:LYS277 3.6 32.0 1.0 N B:LYS277 3.7 25.9 1.0 N B:THR276 3.8 27.7 1.0 C B:GLY275 3.9 32.7 1.0 CD B:LYS277 4.0 35.1 1.0 CA B:LYS277 4.2 27.7 1.0 CD B:GLN219 4.2 32.6 1.0 OE1 B:GLN219 4.2 30.3 1.0 O B:GLY275 4.7 31.1 1.0 C B:THR276 4.7 28.8 1.0 N B:GLY275 4.7 29.9 1.0 CA B:THR276 4.8 29.2 1.0 O B:HOH715 5.0 38.5 1.0

K.Molland, Q.Zhou, A.D.Mesecar. A 2.2 Angstrom Resolution Structure of the USP7 Catalytic Domain in A New Space Group Elaborates Upon Structural Rearrangements Resulting From Ubiquitin Binding. Acta Crystallogr F Struct V. 70 283 2014BIOL Commun.
ISSN: ISSN 1744-3091
PubMed: 24598911
DOI: 10.1107/S2053230X14002519