Bromine in PDB 3eki: Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter

The structure of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter, PDB code: 3eki was solved by K.H.Sippel, A.H.Robbins, R.Reutzel, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.457, 67.586, 59.838, 90.00, 106.28, 90.00
R / Rfree (%)	n/a / 22.7

The structure of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Bromine atom in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter (pdb code 3eki). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter, PDB code: 3eki:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:21.3 occ:0.50 CG A:GLU193 3.4 49.7 1.0 N A:GLU193 3.5 17.0 1.0 CB A:GLU193 3.8 40.7 1.0 N A:ASP192 3.8 19.6 1.0 CB A:ASP192 3.9 19.5 1.0 CB A:THR191 3.9 13.4 1.0 OG1 A:THR191 4.2 13.8 1.0 CA A:ASP192 4.2 19.8 1.0 CA A:GLU193 4.3 19.0 1.0 C A:ASP192 4.4 17.0 1.0 C A:THR191 4.6 12.1 1.0 CG A:ASP192 4.6 30.1 1.0 CA A:THR191 4.7 17.5 1.0 CD A:GLU193 4.7 61.7 1.0 OD2 A:ASP192 4.9 36.9 1.0 CG2 A:THR191 4.9 17.8 1.0

Bromine binding site 2 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:21.2 occ:0.50 NZ A:LYS78 3.4 22.1 1.0 CD A:LYS78 3.5 21.8 1.0 O A:HOH1040 3.5 18.3 1.0 ND2 A:ASN81 3.9 12.1 1.0 CE A:LYS78 3.9 24.9 1.0 CG A:LYS77 4.0 14.0 1.0 O A:LYS77 4.1 7.6 1.0 CB A:ASN81 4.1 5.7 1.0 CA A:LYS78 4.3 8.9 1.0 CG A:ASN81 4.4 7.7 1.0 CE A:LYS77 4.4 14.7 1.0 C A:LYS77 4.5 6.9 1.0 CD A:LYS77 4.5 13.1 1.0 N A:LYS78 4.6 7.2 1.0 CG A:LYS78 4.7 12.8 1.0 BR A:BR606 4.9 19.0 0.5 CB A:LYS78 5.0 10.9 1.0

Bromine binding site 3 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br605 b:22.9 occ:0.50 O A:HOH1046 2.8 17.0 1.0 OG A:SER311 3.3 12.0 1.0 OG A:SER292 3.4 24.9 1.0 N A:ASP294 3.5 9.6 1.0 CB A:SER311 3.9 10.5 1.0 CZ A:PHE324 3.9 12.9 1.0 O A:HOH1198 3.9 30.6 1.0 O A:HOH1015 4.0 12.6 1.0 CB A:ASP294 4.0 17.8 1.0 CB A:ALA293 4.0 8.3 1.0 N A:ALA293 4.0 9.0 1.0 CB A:SER307 4.1 7.6 1.0 CG A:ASP294 4.1 25.4 1.0 OD2 A:ASP294 4.2 40.6 1.0 C A:ALA293 4.2 9.6 1.0 CA A:ALA293 4.3 8.2 1.0 CE1 A:PHE324 4.3 13.4 1.0 CA A:ASP294 4.3 13.2 1.0 OE2 A:GLU308 4.5 12.8 1.0 O A:HOH1269 4.6 36.4 1.0 OD1 A:ASP294 4.7 22.8 1.0 OG A:SER307 4.7 11.0 1.0 CB A:SER292 4.7 16.2 1.0 C A:SER292 4.8 8.3 1.0 CE2 A:PHE324 4.8 16.3 1.0

Bromine binding site 4 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br606 b:19.0 occ:0.50 O A:HOH1192 2.7 26.3 1.0 O A:HOH1040 3.0 18.3 1.0 ND2 A:ASN85 3.3 8.2 1.0 O A:ASN81 3.5 8.0 1.0 C A:ASN81 3.6 10.5 1.0 CB A:ASN81 3.8 5.7 1.0 N A:LYS82 3.9 9.2 1.0 CA A:LYS82 4.1 7.6 1.0 O A:HOH1308 4.2 50.0 1.0 CG A:ASN85 4.3 8.0 1.0 CA A:ASN81 4.3 8.0 1.0 CB A:ASN85 4.3 7.5 1.0 O A:HOH1196 4.4 35.5 1.0 O A:HOH1085 4.8 16.5 1.0 BR A:BR604 4.9 21.2 0.5 OD2 A:ASP95 4.9 14.6 1.0 CB A:LYS82 4.9 14.3 1.0

Bromine binding site 5 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br607 b:18.2 occ:0.50 NE2 A:HIS250 2.9 11.9 1.0 O A:HOH1025 2.9 19.6 1.0 CE1 A:HIS250 3.5 12.0 1.0 NH1 A:ARG281 3.6 22.0 1.0 CD A:ARG281 3.7 28.3 1.0 CA A:LYS289 3.7 5.5 1.0 O A:TYR288 3.8 7.3 1.0 C A:TYR288 3.8 8.0 1.0 N A:LYS289 3.8 6.7 1.0 N A:GLN290 3.8 7.9 1.0 C A:LYS289 4.0 6.6 1.0 CB A:TYR288 4.0 8.7 1.0 CD2 A:HIS250 4.2 10.5 1.0 O A:HOH1231 4.3 33.1 1.0 CZ A:ARG281 4.6 24.0 1.0 CA A:TYR288 4.6 6.3 1.0 CB A:GLN290 4.6 13.5 1.0 NE A:ARG281 4.6 19.1 1.0 CA A:GLN290 4.7 8.0 1.0 ND1 A:HIS250 4.8 10.6 1.0 O A:LYS289 4.8 7.4 1.0 CG A:ARG281 4.8 17.7 1.0

Bromine binding site 6 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br608 b:24.5 occ:1.00 N A:LYS252 3.4 9.6 1.0 O A:HOH1106 3.4 23.5 1.0 O A:HOH1169 3.5 22.5 1.0 O A:HOH1175 3.5 27.8 1.0 CE A:LYS258 3.7 14.2 1.0 CB A:SER255 3.9 7.1 1.0 CA A:GLY251 3.9 7.5 1.0 CB A:LYS252 4.1 10.7 1.0 CG A:LYS252 4.1 17.8 1.0 CD A:LYS258 4.1 13.8 1.0 C A:GLY251 4.2 9.2 1.0 OG A:SER255 4.2 6.6 1.0 CA A:LYS252 4.3 6.0 1.0 CB A:LYS258 4.6 8.9 1.0 O3B A:TPP551 4.7 9.5 1.0 O A:LYS252 4.9 9.1 1.0 CD A:LYS252 4.9 39.5 1.0 NZ A:LYS258 5.0 23.5 1.0

Bromine binding site 7 out of 7 in the Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:21.0 occ:1.00 OD1 A:ASN87 3.4 18.9 1.0 CG A:ASN87 3.5 20.4 1.0 CB A:ASN87 3.8 19.0 1.0 ND2 A:ASN87 3.9 12.6 1.0 CD A:LYS89 4.1 33.6 1.0 CE A:LYS89 4.1 40.1 1.0 CG A:LYS89 4.9 32.3 1.0

K.H.Sippel, A.H.Robbins, R.Reutzel, S.K.Boehlein, K.Namiki, S.Goodison, M.Agbandje-Mckenna, C.J.Rosser, R.Mckenna. Structural Insights Into the Extracytoplasmic Thiamine-Binding Lipoprotein P37 of Mycoplasma Hyorhinis J.Bacteriol. V. 191 2585 2009.
ISSN: ISSN 0021-9193
PubMed: 19233924
DOI: 10.1128/JB.01680-08