Bromine in PDB 3fpe: Crystal Structure of Mtnas in Complex with Thermonicotianamine

The structure of Crystal Structure of Mtnas in Complex with Thermonicotianamine, PDB code: 3fpe 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)	39.56 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.410, 68.280, 147.540, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.3

The binding sites of Bromine atom in the Crystal Structure of Mtnas in Complex with Thermonicotianamine (pdb code 3fpe). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Mtnas in Complex with Thermonicotianamine, PDB code: 3fpe:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Mtnas in Complex with Thermonicotianamine


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 Mtnas in Complex with Thermonicotianamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br300 b:17.6 occ:1.00 O B:HOH305 3.1 14.0 1.0 O B:HOH572 3.2 15.8 1.0 NH2 B:ARG16 3.4 14.7 1.0 CG B:LEU35 4.2 11.6 1.0 CD1 B:LEU35 4.4 13.8 1.0 CZ B:ARG16 4.5 14.9 1.0 CB B:PRO34 4.6 12.2 1.0 NE B:ARG16 4.7 11.7 1.0 CD2 B:LEU35 4.9 11.7 1.0 N B:LEU35 4.9 10.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Mtnas in Complex with Thermonicotianamine


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 Mtnas in Complex with Thermonicotianamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:21.2 occ:1.00 C B:SER93 3.4 15.1 1.0 CA B:SER93 3.5 16.5 1.0 N B:TRP95 3.5 14.3 1.0 N B:GLU96 3.5 14.1 1.0 CB B:SER93 3.6 16.5 1.0 O B:SER93 3.8 14.4 1.0 N B:PRO94 3.8 14.9 1.0 CB B:TRP95 3.9 15.6 1.0 CA B:TRP95 4.1 14.3 1.0 CB B:GLU96 4.1 14.5 1.0 CD B:PRO94 4.1 15.0 1.0 C B:TRP95 4.3 14.2 1.0 OG B:SER93 4.4 21.3 1.0 C B:PRO94 4.5 14.5 1.0 CA B:GLU96 4.5 14.7 1.0 CA B:PRO94 4.7 14.4 1.0 O B:HOH482 4.8 26.6 1.0 CG B:PRO94 4.8 15.7 1.0 CG B:TRP95 4.9 15.7 1.0 N B:SER93 4.9 17.4 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