Bromine in PDB 6bxr: Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)

The structure of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B), PDB code: 6bxr was solved by M.L.Parker, R.Ramaswamy, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.61 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.090, 62.110, 89.210, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.3

The structure of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) (pdb code 6bxr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 11 binding sites of Bromine where determined in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B), PDB code: 6bxr:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


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 Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:39.8 occ:0.55 N A:HIS193 3.5 20.6 1.0 CB A:SER192 3.7 18.8 1.0 O A:HOH848 3.8 23.2 1.0 CD2 A:HIS194 3.9 24.6 1.0 CB A:HIS193 3.9 25.8 1.0 NE2 A:HIS194 4.0 25.5 1.0 ND1 A:HIS193 4.1 34.2 1.0 CG A:HIS193 4.2 29.8 1.0 CA A:SER192 4.2 20.9 1.0 O A:HOH841 4.3 27.2 1.0 CA A:HIS193 4.3 22.0 1.0 C A:SER192 4.4 19.7 1.0 OG A:SER192 4.5 18.4 1.0 CD A:PRO200 4.6 13.4 1.0 CG A:PRO200 4.7 23.0 1.0 O A:HOH682 4.7 26.9 1.0 CE1 A:HIS193 5.0 27.9 1.0 O A:HOH655 5.0 26.8 1.0

Bromine binding site 2 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


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 Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:23.4 occ:0.44 N A:ALA205 3.3 16.5 1.0 C A:ALA205 3.6 20.4 1.0 O A:ALA205 3.6 21.8 1.0 CB A:ASP203 3.7 14.1 1.0 CD A:PRO204 3.7 15.5 1.0 CA A:ALA205 3.8 21.2 1.0 CG A:PRO204 3.9 20.6 1.0 CB A:ALA205 4.0 21.2 1.0 N A:PRO204 4.0 12.0 1.0 N A:PRO206 4.1 20.0 1.0 C A:PRO204 4.3 14.6 1.0 C A:ASP203 4.5 12.1 1.0 CG A:ASP203 4.5 15.0 1.0 CA A:PRO204 4.6 15.8 1.0 CA A:ASP203 4.6 11.4 1.0 CA A:PRO206 4.7 16.2 1.0 CB A:PRO204 4.8 16.9 1.0 OD2 A:ASP203 4.8 15.0 1.0

Bromine binding site 3 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


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 Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:24.4 occ:0.40 NA A:NA512 2.6 36.6 1.0 O A:HOH601 3.8 26.5 1.0 O A:ASN218 3.8 10.7 1.0 CA A:ALA219 3.9 10.5 1.0 C A:ASN218 3.9 14.1 1.0 N A:ALA219 3.9 10.4 1.0 CG A:PRO307 4.0 16.4 1.0 CB A:ASN218 4.1 11.3 1.0 CB A:PRO307 4.1 14.8 1.0 CB A:ALA219 4.1 14.3 1.0 ND2 A:ASN308 4.4 13.8 1.0 CA A:ASN218 4.7 10.5 1.0 O A:HOH783 4.9 13.0 1.0 O A:HOH810 4.9 30.2 1.0 CD A:PRO307 5.0 12.9 1.0

Bromine binding site 4 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


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 Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:26.2 occ:0.46 NA A:NA513 2.7 36.7 1.0 O A:HOH714 3.3 19.4 1.0 O A:HOH832 3.6 23.4 1.0 O A:HOH651 3.7 17.1 1.0 O A:HOH825 3.8 23.4 1.0 O A:PRO248 3.9 12.9 1.0 C A:PRO248 3.9 13.8 1.0 N A:GLU249 4.0 13.3 1.0 CG A:GLU249 4.0 14.7 1.0 CA A:GLU249 4.0 13.8 1.0 OE2 A:GLU249 4.0 16.6 1.0 CD A:GLU249 4.2 13.8 1.0 CB A:PRO248 4.2 16.2 1.0 CB A:SER252 4.2 10.4 1.0 O A:HOH719 4.6 13.6 1.0 CB A:GLU249 4.6 13.5 1.0 OG A:SER252 4.6 11.6 1.0 CA A:PRO248 4.7 14.1 1.0

Bromine binding site 5 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br505 b:29.3 occ:0.46 N A:VAL295 3.3 11.7 1.0 O A:HOH674 3.5 33.7 1.0 CA A:VAL294 3.7 14.1 1.0 CG2 A:VAL295 3.7 16.9 1.0 CD2 A:LEU298 3.8 27.8 1.0 CB A:VAL294 3.8 20.6 1.0 CB A:PRO270 4.0 20.7 1.0 C A:VAL294 4.0 14.0 1.0 CB A:VAL295 4.1 14.4 1.0 CG A:PRO270 4.2 19.5 1.0 CG1 A:VAL294 4.2 23.2 1.0 CA A:VAL295 4.3 12.3 1.0 CE A:MET299 5.0 31.7 1.0 N A:VAL294 5.0 13.1 1.0

Bromine binding site 6 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br506 b:20.9 occ:0.49 O A:HOH604 2.4 29.6 1.0 N A:ALA370 3.4 11.7 1.0 OE1 A:GLU275 3.5 36.4 1.0 O A:HOH798 3.5 30.3 1.0 CB A:ALA370 3.6 12.9 1.0 CD A:PRO369 3.7 11.0 1.0 NH2 A:ARG287 3.8 37.1 1.0 CD A:ARG287 4.0 27.1 1.0 N A:PRO369 4.0 11.8 1.0 CB A:PRO369 4.0 11.2 1.0 CZ A:PHE289 4.0 13.9 1.0 CB A:THR368 4.1 10.6 1.0 CA A:ALA370 4.1 10.5 1.0 CG A:PRO369 4.1 11.0 1.0 OE2 A:GLU275 4.1 33.8 1.0 CD A:GLU275 4.2 28.1 1.0 CZ A:ARG287 4.2 32.0 1.0 OG1 A:THR368 4.2 12.0 1.0 CE2 A:PHE289 4.2 14.5 1.0 NE A:ARG287 4.3 29.3 1.0 C A:PRO369 4.3 10.9 1.0 CA A:PRO369 4.4 11.1 1.0 C A:THR368 4.7 8.9 1.0 CA A:THR368 4.9 9.0 1.0 CG2 A:THR368 5.0 9.2 1.0

Bromine binding site 7 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br507 b:25.4 occ:0.38 NH1 A:ARG412 3.2 28.3 1.0 CB A:PRO293 3.5 17.2 1.0 O A:HOH642 3.6 26.0 1.0 NH2 A:ARG412 3.8 22.9 1.0 CZ A:ARG412 4.0 27.7 1.0 CG2 A:THR353 4.0 15.6 1.0 CB A:ALA356 4.2 10.2 1.0 O A:HOH710 4.3 23.1 1.0 OG1 A:THR353 4.3 13.7 1.0 CA A:THR353 4.4 9.8 1.0 CB A:THR353 4.5 14.0 1.0 CG1 A:VAL294 4.5 23.2 1.0 CA A:PRO293 4.6 14.1 1.0 CG A:PRO293 4.6 18.0 1.0 C A:PRO293 4.6 12.9 1.0 O A:PRO293 4.6 17.5 1.0 O A:THR353 4.8 11.6 1.0 O A:HOH721 4.9 17.6 1.0

Bromine binding site 8 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br508 b:22.8 occ:0.60 OE2 A:GLU302 3.1 40.7 1.0 O A:HOH629 3.2 12.1 1.0 N A:ASN308 3.4 11.3 1.0 CD A:GLU302 3.5 38.5 1.0 O A:PRO296 3.6 16.1 1.0 C A:PRO296 3.7 16.1 1.0 CG A:GLU302 3.8 28.8 1.0 CB A:PRO296 3.8 14.3 1.0 CB A:GLU302 3.8 24.2 1.0 CA A:PRO307 3.8 11.2 1.0 N A:GLY297 4.0 15.5 1.0 CA A:GLY297 4.1 18.1 1.0 C A:PRO307 4.1 11.7 1.0 O A:HOH709 4.2 21.0 1.0 CA A:ASN308 4.3 12.7 1.0 OE1 A:GLU302 4.4 41.8 1.0 CA A:PRO296 4.4 14.8 1.0 OD1 A:ASN308 4.5 12.2 1.0 CB A:PRO307 4.5 14.8 1.0 O A:GLY306 4.6 13.5 1.0 CA A:GLU302 4.9 19.3 1.0 N A:PRO307 5.0 12.0 1.0

Bromine binding site 9 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br509 b:28.2 occ:0.56 OG A:SER348 3.4 19.3 1.0 O A:HOH742 3.6 26.6 1.0 CA A:ALA401 3.7 10.0 1.0 CB A:SER348 3.7 19.9 1.0 CB A:ALA401 4.0 11.6 1.0 N A:ALA401 4.1 9.2 1.0 O A:ARG400 4.4 11.0 1.0 CA A:SER348 4.5 13.4 1.0 C A:ARG400 4.5 10.9 1.0 CB A:GLU404 4.6 10.9 1.0 C A:ALA401 4.8 9.6 1.0 O A:HOH700 4.9 26.2 1.0 O A:HOH708 4.9 20.8 1.0 CG A:GLU404 4.9 12.7 1.0 NZ A:LYS352 4.9 29.3 1.0 O A:ALA401 5.0 11.2 1.0

Bromine binding site 10 out of 11 in the Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Toxoplasma Gondii Mitochondrial Association Factor 1 B (MAF1B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br510 b:16.4 occ:0.64 O A:HOH648 3.2 12.4 1.0 ND2 A:ASN366 3.3 11.1 1.0 N A:ASN416 3.4 16.2 1.0 CD2 A:PHE417 3.9 11.4 1.0 CA A:PRO415 3.9 16.4 1.0 CE2 A:PHE417 3.9 13.4 1.0 CB A:ASN366 4.1 8.8 1.0 CA A:ALA363 4.1 8.4 1.0 C A:PRO415 4.2 15.1 1.0 CG A:ASN366 4.2 8.6 1.0 CB A:ASN416 4.2 25.7 1.0 CB A:PRO415 4.3 14.7 1.0 CA A:ASN416 4.4 23.3 1.0 CB A:ALA363 4.4 13.4 1.0 O A:HOH792 4.4 23.6 1.0 ND2 A:ASN416 4.5 33.5 1.0 CG A:ASN416 4.6 32.6 1.0 O A:HOH739 4.6 25.5 1.0 O A:ALA363 4.7 10.8 1.0 N A:PHE417 4.8 17.1 1.0 O A:HOH828 4.8 23.8 1.0 C A:ALA363 4.9 9.3 1.0 CG A:PHE417 5.0 11.6 1.0

M.L.Blank, M.L.Parker, R.Ramaswamy, C.J.Powell, E.D.English, Y.Adomako-Ankomah, L.F.Pernas, S.D.Workman, J.C.Boothroyd, M.J.Boulanger, J.P.Boyle. A Toxoplasma Gondii Locus Required For the Direct Manipulation of Host Mitochondria Has Maintained Multiple Ancestral Functions. Mol. Microbiol. V. 108 519 2018.
ISSN: ESSN 1365-2958
PubMed: 29505111
DOI: 10.1111/MMI.13947