Bromine in PDB 8u2v: Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi

The structure of Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi, PDB code: 8u2v was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.25 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.866, 110.866, 91.256, 90, 90, 90
R / Rfree (%)	19.8 / 23.6

The binding sites of Bromine atom in the Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi (pdb code 8u2v). 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 Methylglyoxal Synthase From Borrelia Burgdorferi, PDB code: 8u2v:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi


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 Methylglyoxal Synthase From Borrelia Burgdorferi within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:98.3 occ:1.00 N A:GLY57 3.6 75.3 1.0 NZ A:LYS14 3.7 84.3 1.0 OG1 A:THR36 3.9 82.5 1.0 O A:THR36 4.0 76.6 1.0 CB A:SER56 4.0 90.0 1.0 CA A:SER56 4.1 81.8 1.0 O A:ALA9 4.1 69.3 1.0 C A:SER56 4.4 86.3 1.0 CB A:THR36 4.5 63.0 1.0 OG1 A:THR39 4.5 99.6 1.0 C A:THR36 4.6 86.0 1.0 CA A:GLY57 4.6 75.5 1.0 CE A:LYS14 4.6 86.1 1.0 O A:HOH307 4.7 71.6 1.0 CD A:PRO58 4.7 79.6 1.0 CG2 A:THR38 4.8 115.3 1.0 OD1 A:ASP11 5.0 83.5 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi


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 Methylglyoxal Synthase From Borrelia Burgdorferi within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:101.7 occ:1.00 N B:GLY57 3.5 82.4 1.0 NZ B:LYS14 3.7 87.8 1.0 OG1 B:THR36 3.9 84.3 1.0 O B:THR36 4.0 81.5 1.0 CA B:SER56 4.1 87.7 1.0 O B:ALA9 4.1 64.9 1.0 CB B:SER56 4.1 89.5 1.0 C B:SER56 4.3 89.7 1.0 OG1 B:THR39 4.3 111.2 1.0 CA B:GLY57 4.3 78.9 1.0 CB B:THR36 4.5 74.8 1.0 CG2 B:THR38 4.5 108.0 1.0 CE B:LYS14 4.6 76.7 1.0 C B:THR36 4.6 100.5 1.0 CD B:PRO58 4.7 81.0 1.0 OD1 B:ASP11 5.0 95.6 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi


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 Methylglyoxal Synthase From Borrelia Burgdorferi within 5.0Å range: probe atom residue distance (Å) B Occ C:Br201 b:105.5 occ:1.00 N C:GLY57 3.7 71.8 1.0 NZ C:LYS14 3.7 82.0 1.0 OG1 C:THR36 3.9 83.8 1.0 CB C:SER56 3.9 79.9 1.0 O C:THR36 4.0 97.8 1.0 CA C:SER56 4.1 79.5 1.0 O C:ALA9 4.1 70.6 1.0 OG1 C:THR39 4.2 98.8 1.0 CG2 C:THR38 4.3 98.0 1.0 C C:SER56 4.4 84.7 1.0 CB C:THR36 4.5 79.7 1.0 CD C:PRO58 4.6 78.7 1.0 CA C:GLY57 4.6 72.5 1.0 CE C:LYS14 4.6 86.5 1.0 C C:THR36 4.7 93.7 1.0 OD1 C:ASP11 4.9 92.3 1.0 OG C:SER56 4.9 90.5 1.0 N C:THR38 4.9 91.5 1.0

S.Lovell, L.Liu, A.Cooper, G.W.Buchko, K.P.Battaile. Crystal Structure of Methylglyoxal Synthase From Borrelia Burgdorferi To Be Published.