Bromine in PDB 3fpj: Crystal Structure of E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine

The structure of Crystal Structure of E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine, PDB code: 3fpj was solved by C.Dreyfus, D.Pignol, P.Arnoux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.600, 68.980, 147.390, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28.4

The binding sites of Bromine atom in the Crystal Structure of E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine (pdb code 3fpj). 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 E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine, PDB code: 3fpj:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine


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 E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br299 b:16.7 occ:1.00 O A:HOH612 3.3 20.2 1.0 O A:HOH529 3.5 30.2 1.0 NH1 A:ARG16 3.9 15.0 1.0 CD A:ARG16 4.0 9.3 1.0 O A:HOH459 4.3 30.0 1.0 CB A:ARG16 4.3 10.8 1.0 CD2 A:LEU35 4.5 19.1 1.0 CD1 A:LEU35 4.6 22.3 1.0 CG A:LEU35 4.6 19.7 1.0 CG A:ARG16 4.7 15.4 1.0 O A:HOH410 4.7 20.8 1.0 CZ A:ARG16 4.9 11.8 1.0 NE A:ARG16 4.9 11.5 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine


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 E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br300 b:23.6 occ:1.00 O A:HOH315 3.4 25.4 1.0 CG A:GLU51 3.8 14.4 1.0 NH2 B:ARG244 3.9 5.3 0.5 O B:HOH437 4.2 21.1 1.0 N A:GLU51 4.3 10.5 1.0 N A:PHE50 4.3 12.7 1.0 CB A:ASP49 4.4 13.2 1.0 OD1 A:ASP49 4.4 15.6 1.0 CG1 B:VAL247 4.4 10.3 1.0 CD2 B:LEU249 4.5 6.0 1.0 CG A:ASP49 4.5 15.4 1.0 CG2 B:THR224 4.6 4.8 1.0 CB A:GLU51 4.6 11.4 1.0 CE2 B:PHE50 4.6 18.9 1.0 CB A:PHE50 4.7 15.0 1.0 CG2 B:VAL247 4.8 16.2 1.0 CZ B:ARG244 4.8 5.1 0.5 CD A:GLU51 4.9 25.6 1.0 CA A:PHE50 4.9 12.8 1.0 OE2 A:GLU51 4.9 28.8 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine


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 E81Q Mutant of Mtnas in Complex with S- Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br299 b:13.2 occ:1.00 CA B:SER93 3.5 9.2 1.0 CB B:SER93 3.6 11.1 1.0 C B:SER93 3.7 9.8 1.0 N B:GLU96 3.8 4.8 1.0 N B:TRP95 3.9 7.5 1.0 CB B:TRP95 4.1 8.0 1.0 O B:SER93 4.1 9.7 1.0 N B:PRO94 4.1 8.9 1.0 CB B:GLU96 4.2 7.3 1.0 CA B:TRP95 4.4 6.9 1.0 CD B:PRO94 4.5 10.5 1.0 C B:TRP95 4.6 7.0 1.0 CA B:GLU96 4.6 6.0 1.0 OE1 B:GLU96 4.8 10.9 1.0 C B:PRO94 4.9 8.0 1.0 OG B:SER93 4.9 15.0 1.0 N B:SER93 5.0 9.9 1.0

C.Dreyfus, D.Lemaire, S.Mari, D.Pignol, P.Arnoux. Crystallographic Snapshots of Iterative Substrate Translocations During Nicotianamine Synthesis in Archaea Proc.Natl.Acad.Sci.Usa V. 106 16180 2009.
ISSN: ISSN 0027-8424
PubMed: 19805277
DOI: 10.1073/PNAS.0904439106