Bromine in PDB 6dlx: Ftsy-Ng Domain Bound to Fragment 3.

The structure of Ftsy-Ng Domain Bound to Fragment 3., PDB code: 6dlx was solved by F.S.Ataide, C.Faoro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.99 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.451, 76.020, 107.882, 90.00, 90.41, 90.00
R / Rfree (%)	20 / 24.9

The binding sites of Bromine atom in the Ftsy-Ng Domain Bound to Fragment 3. (pdb code 6dlx). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Ftsy-Ng Domain Bound to Fragment 3., PDB code: 6dlx:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Ftsy-Ng Domain Bound to Fragment 3.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ftsy-Ng Domain Bound to Fragment 3. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:0.4 occ:1.00 BR A:GXY501 0.0 0.4 1.0 CAE A:GXY501 1.9 0.1 1.0 CAF A:GXY501 2.8 0.9 1.0 CAD A:GXY501 2.8 0.8 1.0 OAJ A:GXY501 3.0 0.9 1.0 HAD A:GXY501 3.0 0.4 1.0 HAK A:GXY501 3.5 0.0 1.0 HA A:SER362 3.5 32.7 1.0 O A:HOH653 3.7 27.8 1.0 CAK A:GXY501 3.8 0.4 1.0 HB2 A:SER362 3.9 37.7 1.0 HG11 A:VAL403 3.9 48.0 1.0 HG13 A:VAL403 4.1 48.0 1.0 HB3 A:PHE365 4.1 48.5 1.0 CAC A:GXY501 4.1 97.3 1.0 CAG A:GXY501 4.2 0.9 1.0 CG A:PHE365 4.2 28.3 1.0 HAM A:GXY501 4.3 0.0 1.0 HB2 A:PHE365 4.3 48.5 1.0 CA A:SER362 4.3 27.2 1.0 CB A:SER362 4.4 31.4 1.0 CD1 A:PHE365 4.4 23.8 1.0 OG A:SER362 4.4 60.9 1.0 CG1 A:VAL403 4.5 40.0 1.0 CB A:PHE365 4.5 40.4 1.0 CD2 A:PHE365 4.5 19.6 1.0 HD1 A:PHE365 4.6 28.6 1.0 HAL A:GXY501 4.7 0.0 1.0 CAH A:GXY501 4.7 0.8 1.0 HD2 A:PHE365 4.7 23.5 1.0 CE1 A:PHE365 4.8 27.8 1.0 HZ2 A:LYS406 4.8 85.5 1.0 CE2 A:PHE365 4.9 19.8 1.0 HG12 A:VAL403 4.9 48.0 1.0

Bromine binding site 2 out of 4 in the Ftsy-Ng Domain Bound to Fragment 3.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Ftsy-Ng Domain Bound to Fragment 3. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:0.5 occ:1.00 BR A:GXY502 0.0 0.5 1.0 CAE A:GXY502 1.9 0.7 1.0 CAD A:GXY502 2.8 0.5 1.0 CAF A:GXY502 2.8 0.9 1.0 HAD A:GXY502 3.0 0.2 1.0 OAJ A:GXY502 3.0 0.3 1.0 HD12 A:LEU340 3.1 27.5 1.0 HB2 A:TRP343 3.4 31.5 1.0 HA A:LEU340 3.5 30.5 1.0 HB3 A:TRP343 3.5 31.5 1.0 HB A:THR307 3.5 47.0 1.0 HD13 A:LEU340 3.7 27.5 1.0 CG A:TRP343 3.7 34.4 1.0 CB A:TRP343 3.7 26.2 1.0 CD1 A:LEU340 3.8 22.9 1.0 CAK A:GXY502 4.0 98.2 1.0 HAL A:GXY502 4.0 0.8 1.0 O A:THR307 4.1 27.3 1.0 CD1 A:TRP343 4.1 40.1 1.0 HG2 A:GLN339 4.1 47.3 1.0 CAC A:GXY502 4.1 74.4 1.0 CAG A:GXY502 4.2 0.7 1.0 HD1 A:TRP343 4.2 48.1 1.0 CD2 A:TRP343 4.2 42.2 1.0 HD11 A:LEU340 4.3 27.5 1.0 CA A:LEU340 4.4 25.4 1.0 CB A:THR307 4.4 39.1 1.0 C A:THR307 4.5 18.9 1.0 HA3 A:GLY311 4.6 31.3 1.0 HAM A:GXY502 4.6 0.8 1.0 CAH A:GXY502 4.7 92.0 1.0 O A:GLN339 4.7 33.4 1.0 NE1 A:TRP343 4.7 35.5 1.0 H A:GLY311 4.7 26.4 1.0 HAK A:GXY502 4.7 0.8 1.0 CE2 A:TRP343 4.8 32.3 1.0 HA A:THR308 4.8 39.3 1.0 CE3 A:TRP343 4.8 52.6 1.0 HE3 A:TRP343 4.8 63.1 1.0 N A:LEU340 4.9 23.9 1.0 HB2 A:LEU340 4.9 44.9 1.0 HG1 A:THR307 4.9 50.9 1.0 OG1 A:THR307 4.9 42.5 1.0 CG A:LEU340 5.0 19.9 1.0

Bromine binding site 3 out of 4 in the Ftsy-Ng Domain Bound to Fragment 3.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Ftsy-Ng Domain Bound to Fragment 3. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:86.1 occ:1.00 BR B:GXY501 0.0 86.1 1.0 CAE B:GXY501 1.9 77.1 1.0 CAD B:GXY501 2.8 92.7 1.0 CAF B:GXY501 2.8 86.2 1.0 HAK B:GXY501 2.9 84.5 1.0 HAD B:GXY501 3.0 0.2 1.0 OAJ B:GXY501 3.0 66.4 1.0 O B:HOH615 3.3 41.8 1.0 HA B:SER362 3.3 37.6 1.0 CAK B:GXY501 3.5 70.4 1.0 HB3 B:PHE365 3.7 32.4 1.0 CG B:PHE365 3.8 26.4 1.0 HG11 B:VAL403 3.8 59.4 1.0 HB2 B:PHE365 3.9 32.4 1.0 HG13 B:VAL403 3.9 59.4 1.0 HB2 B:SER362 4.0 44.3 1.0 CD1 B:PHE365 4.0 35.5 1.0 HAM B:GXY501 4.0 84.5 1.0 CB B:PHE365 4.0 27.0 1.0 CD2 B:PHE365 4.1 29.2 1.0 CAC B:GXY501 4.1 94.5 1.0 CAG B:GXY501 4.2 0.8 1.0 CA B:SER362 4.2 31.3 1.0 HD1 B:PHE365 4.2 42.5 1.0 CG1 B:VAL403 4.3 49.5 1.0 HAL B:GXY501 4.3 84.5 1.0 HD2 B:PHE365 4.4 35.1 1.0 CB B:SER362 4.4 36.9 1.0 OG B:SER362 4.4 64.2 1.0 CE1 B:PHE365 4.5 25.4 1.0 CE2 B:PHE365 4.6 32.8 1.0 CAH B:GXY501 4.7 90.2 1.0 HG12 B:VAL403 4.7 59.4 1.0 CZ B:PHE365 4.7 32.6 1.0 HG B:SER362 4.8 77.1 1.0 N B:SER362 4.9 39.5 1.0 O B:ALA361 4.9 45.0 1.0 HE1 B:PHE365 5.0 30.4 1.0

Bromine binding site 4 out of 4 in the Ftsy-Ng Domain Bound to Fragment 3.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Ftsy-Ng Domain Bound to Fragment 3. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:0.7 occ:1.00 BR B:GXY502 0.0 0.7 1.0 CAE B:GXY502 1.9 98.2 1.0 HG2 B:GLN339 2.8 94.3 1.0 CAF B:GXY502 2.8 90.8 1.0 CAD B:GXY502 2.8 95.6 1.0 OAJ B:GXY502 2.9 99.1 1.0 HAD B:GXY502 3.0 0.7 1.0 HA B:LEU340 3.0 35.7 1.0 HAK B:GXY502 3.2 0.4 1.0 O B:HOH681 3.3 26.5 1.0 HD12 B:LEU340 3.4 45.6 1.0 HD13 B:LEU340 3.6 45.6 1.0 CAK B:GXY502 3.6 89.5 1.0 CG B:GLN339 3.6 78.6 1.0 HB B:THR307 3.6 59.6 1.0 CA B:LEU340 3.8 29.8 1.0 HB2 B:TRP343 3.8 30.8 1.0 N B:LEU340 3.8 29.6 1.0 CD B:GLN339 3.8 77.7 1.0 HB3 B:GLN339 3.9 91.7 1.0 C B:GLN339 3.9 37.6 1.0 O B:GLN339 4.0 33.2 1.0 CD1 B:LEU340 4.0 38.0 1.0 HB2 B:LEU340 4.0 33.5 1.0 NE2 B:GLN339 4.1 79.3 1.0 HE22 B:GLN339 4.1 95.2 1.0 H B:LEU340 4.1 35.5 1.0 HB3 B:TRP343 4.1 30.8 1.0 CAG B:GXY502 4.1 94.7 1.0 HAL B:GXY502 4.1 0.4 1.0 CAC B:GXY502 4.1 88.3 1.0 CB B:GLN339 4.2 76.5 1.0 OE1 B:GLN339 4.3 47.6 1.0 HG3 B:GLN339 4.3 94.3 1.0 CB B:TRP343 4.4 25.7 1.0 CB B:LEU340 4.4 27.9 1.0 HAM B:GXY502 4.5 0.4 1.0 HE21 B:GLN339 4.5 95.2 1.0 CB B:THR307 4.6 49.6 1.0 HG1 B:THR307 4.6 73.6 1.0 CAH B:GXY502 4.6 79.0 1.0 HD11 B:LEU340 4.7 45.6 1.0 CA B:GLN339 4.7 48.2 1.0 CG B:TRP343 4.8 21.6 1.0 CG B:LEU340 4.8 37.5 1.0 OG1 B:THR307 4.9 61.4 1.0 HG21 B:THR307 4.9 65.0 1.0 HAA B:GXY502 4.9 0.3 1.0 HAG B:GXY502 5.0 0.6 1.0 C B:LEU340 5.0 19.9 1.0 HD1 B:TRP343 5.0 41.9 1.0

C.Faoro, L.Wilkinson-White, A.H.Kwan, S.F.Ataide. Discovery of Fragments That Target Key Interactions in the Signal Recognition Particle (Srp) As Potential Leads For A New Class of Antibiotics. Plos One V. 13 00387 2018.
ISSN: ESSN 1932-6203
PubMed: 30044812
DOI: 10.1371/JOURNAL.PONE.0200387