Bromine in PDB 4m5w: 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: 4m5w was solved by K.L.Molland, A.D.Mesecar, Q.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.44 / 2.24
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.312, 69.193, 75.726, 90.00, 131.28, 90.00
R / Rfree (%)	18.6 / 24.2

The binding sites of Bromine atom in the Crystal Structure of the USP7/Hausp Catalytic Domain (pdb code 4m5w). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of the USP7/Hausp Catalytic Domain, PDB code: 4m5w:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 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:68.2 occ:1.00 NE2 A:GLN219 3.5 44.9 1.0 CB A:LYS277 3.6 45.3 1.0 CG A:LYS277 3.6 52.0 1.0 CA A:GLY275 3.7 50.0 1.0 N A:LYS277 3.7 49.3 1.0 N A:THR276 3.9 45.2 1.0 C A:GLY275 3.9 47.4 1.0 OE1 A:GLN219 4.2 49.0 1.0 CD A:GLN219 4.3 47.6 1.0 CA A:LYS277 4.3 49.3 1.0 NZ A:LYS277 4.5 71.4 1.0 O A:HOH788 4.5 51.6 1.0 O A:GLY275 4.6 45.6 1.0 CD A:LYS277 4.6 57.7 1.0 O A:HOH775 4.7 52.8 1.0 N A:GLY275 4.7 47.6 1.0 C A:THR276 4.8 49.5 1.0 CA A:THR276 4.8 48.3 1.0

Bromine binding site 2 out of 4 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:0.6 occ:1.00 CB A:SER290 3.6 49.7 1.0 CE1 A:HIS294 4.2 55.3 1.0 O A:GLY284 4.3 53.7 1.0 CD1 A:TRP285 4.3 47.1 1.0 CA A:SER290 4.4 50.0 1.0 CG A:TRP285 4.6 44.6 1.0 CA A:TRP285 4.6 47.2 1.0 O A:SER290 4.7 54.1 1.0 OG A:SER290 4.7 52.0 1.0 NE1 A:TRP285 4.7 45.8 1.0 ND1 A:HIS294 4.8 50.8 1.0 CB A:TRP285 4.9 40.8 1.0 C A:SER290 5.0 50.8 1.0

Bromine binding site 3 out of 4 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 A:Br603 b:0.7 occ:1.00 O A:HOH705 2.4 42.5 1.0 O A:HOH704 3.0 39.5 1.0 O A:LEU406 3.3 47.1 1.0 CD2 A:PHE409 3.9 37.2 1.0 N A:PHE409 3.9 47.2 1.0 CB A:PHE409 3.9 34.0 1.0 CA A:MET407 3.9 38.8 1.0 N A:ARG408 4.1 39.3 1.0 SD A:MET407 4.1 50.8 1.0 O A:PHE409 4.1 49.3 1.0 C A:LEU406 4.1 39.5 1.0 CE A:MET407 4.3 59.4 1.0 O A:HOH707 4.4 43.0 1.0 C A:MET407 4.4 37.6 1.0 CA A:PHE409 4.4 44.8 1.0 CG A:PHE409 4.4 36.9 1.0 N A:MET407 4.5 32.5 1.0 O A:TYR514 4.6 33.9 1.0 CB A:TYR514 4.6 38.4 1.0 C A:PHE409 4.7 52.1 1.0 CB A:MET407 4.9 40.4 1.0 C A:ARG408 4.9 44.6 1.0 CE2 A:PHE409 5.0 39.8 1.0 CB A:GLN405 5.0 40.5 1.0

Bromine binding site 4 out of 4 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 4 of Crystal Structure of the USP7/Hausp Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:0.9 occ:1.00 O A:HOH780 2.7 63.6 1.0 N A:ARG424 3.6 44.1 1.0 CD2 A:HIS501 4.0 74.9 1.0 CA A:ASP423 4.0 47.2 1.0 CB A:ASP423 4.2 50.2 1.0 CB A:ARG424 4.2 48.4 1.0 CA A:GLY500 4.2 61.5 1.0 C A:ASP423 4.4 42.0 1.0 OD1 A:ASP423 4.4 57.3 1.0 CG A:ASP423 4.5 56.8 1.0 N A:HIS501 4.5 72.7 1.0 CA A:ARG424 4.6 49.0 1.0 C A:GLY500 4.6 66.7 1.0 NE2 A:HIS501 4.7 71.4 1.0 CG A:HIS501 4.9 79.6 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