Bromine in PDB 4gov: The Crystal Structure of Human Fascin 1 S39D Mutant

The structure of The Crystal Structure of Human Fascin 1 S39D Mutant, PDB code: 4gov was solved by S.Y.Yang, F.K.Huang, J.Huang, S.Chen, J.Jakoncic, A.Leo-Macias, R.Diaz-Avalos, L.Chen, J.J.Zhang, X.Y.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.250, 70.723, 111.058, 90.00, 130.68, 90.00
R / Rfree (%)	19.6 / 23.4

The structure of The Crystal Structure of Human Fascin 1 S39D Mutant also contains other interesting chemical elements:

Chlorine

(Cl)

13 atoms

The binding sites of Bromine atom in the The Crystal Structure of Human Fascin 1 S39D Mutant (pdb code 4gov). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the The Crystal Structure of Human Fascin 1 S39D Mutant, PDB code: 4gov:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the The Crystal Structure of Human Fascin 1 S39D Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of Human Fascin 1 S39D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:75.8 occ:1.00 N A:VAL126 3.8 40.2 1.0 CA A:THR125 3.9 41.8 1.0 CB A:THR125 3.9 43.5 1.0 CG2 A:THR125 4.1 43.7 1.0 C A:THR125 4.4 41.1 1.0 O A:HOH758 4.6 54.6 1.0 O A:GLN124 4.7 41.2 1.0 CA A:VAL126 4.9 39.1 1.0 CB A:VAL126 4.9 38.7 1.0

Bromine binding site 2 out of 6 in the The Crystal Structure of Human Fascin 1 S39D Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of Human Fascin 1 S39D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:57.7 occ:1.00 CA A:GLY86 3.3 53.8 1.0 O A:HOH798 3.4 62.9 1.0 C A:GLY86 3.4 51.3 1.0 N A:ASP88 3.5 46.7 1.0 NE A:ARG82 3.6 69.4 1.0 CB A:ASP88 3.6 44.8 1.0 N A:PRO87 3.7 50.9 1.0 SG A:CYS89 3.8 48.5 1.0 CD A:PRO87 3.9 52.1 1.0 O A:GLY86 3.9 49.8 1.0 N A:GLY86 3.9 57.6 1.0 CZ A:ARG82 3.9 72.1 1.0 CA A:ASP88 4.0 44.4 1.0 NH2 A:ARG82 4.1 74.6 1.0 CD A:ARG82 4.2 65.9 1.0 N A:CYS89 4.3 43.7 1.0 CG A:ARG82 4.4 63.0 1.0 CG A:PRO87 4.4 51.8 1.0 C A:ASP88 4.5 43.6 1.0 CG A:ASP88 4.5 45.7 1.0 C A:PRO87 4.5 47.4 1.0 CA A:PRO87 4.7 49.0 1.0 NH1 A:ARG82 4.7 71.9 1.0 OD2 A:ASP88 5.0 45.6 1.0 C A:PRO85 5.0 59.3 1.0

Bromine binding site 3 out of 6 in the The Crystal Structure of Human Fascin 1 S39D Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Crystal Structure of Human Fascin 1 S39D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:50.0 occ:1.00 N B:ASP88 3.4 37.9 1.0 C B:GLY86 3.5 40.0 1.0 CA B:GLY86 3.5 41.5 1.0 CB B:ASP88 3.6 38.2 1.0 NE B:ARG82 3.6 51.8 1.0 O B:HOH813 3.7 78.5 1.0 CZ B:ARG82 3.8 53.4 1.0 SG B:CYS89 3.8 38.2 1.0 N B:PRO87 3.8 40.4 1.0 CA B:ASP88 3.9 37.0 1.0 CD B:PRO87 3.9 42.9 1.0 O B:GLY86 3.9 37.8 1.0 N B:GLY86 4.0 42.0 1.0 NH2 B:ARG82 4.0 53.3 1.0 CD B:ARG82 4.1 50.3 1.0 N B:CYS89 4.1 35.6 1.0 NH1 B:ARG82 4.3 54.6 1.0 CG B:ARG82 4.4 47.9 1.0 C B:ASP88 4.4 35.9 1.0 CG B:ASP88 4.4 40.0 1.0 C B:PRO87 4.4 37.7 1.0 CA B:PRO87 4.6 39.8 1.0 OD2 B:ASP88 4.7 42.1 1.0 O B:HOH660 4.8 48.8 1.0 CB B:CYS89 4.9 35.0 1.0 CB B:PRO87 5.0 41.2 1.0

Bromine binding site 4 out of 6 in the The Crystal Structure of Human Fascin 1 S39D Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Crystal Structure of Human Fascin 1 S39D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:75.1 occ:1.00 NH1 B:ARG90 3.5 44.7 1.0 CD B:ARG90 3.7 39.2 1.0 N B:PRO87 3.8 40.4 1.0 C B:GLY86 3.9 40.0 1.0 CA B:PRO87 4.1 39.8 1.0 CD B:PRO87 4.2 42.9 1.0 CA B:GLY86 4.3 41.5 1.0 CG B:PRO52 4.3 59.9 1.0 O B:GLY86 4.3 37.8 1.0 CZ B:ARG90 4.4 43.0 1.0 NE B:ARG90 4.5 40.6 1.0 CG B:PRO87 4.5 44.3 1.0 CG B:ARG90 4.6 37.9 1.0 O B:ASP53 4.7 73.9 1.0 CD B:PRO52 4.8 56.9 1.0 CB B:PRO87 4.9 41.2 1.0

Bromine binding site 5 out of 6 in the The Crystal Structure of Human Fascin 1 S39D Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Crystal Structure of Human Fascin 1 S39D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:75.1 occ:1.00 N B:GLU83 3.4 46.5 1.0 NE B:ARG82 3.8 51.8 1.0 CD B:ARG82 3.8 50.3 1.0 CZ B:ARG82 3.9 53.4 1.0 N B:VAL84 3.9 47.1 1.0 NH1 B:ARG82 3.9 54.6 1.0 CG2 B:VAL84 4.0 49.9 1.0 CA B:ARG82 4.2 46.3 1.0 CB B:GLU83 4.2 51.4 1.0 CA B:GLU83 4.2 48.3 1.0 C B:ARG82 4.3 45.7 1.0 O B:VAL84 4.4 45.6 1.0 C B:GLU83 4.5 47.7 1.0 NH2 B:ARG82 4.5 53.3 1.0 CB B:ARG82 4.5 46.3 1.0 CG B:ARG82 4.8 47.9 1.0 CB B:VAL84 4.8 48.9 1.0 CA B:VAL84 4.8 46.7 1.0 CG B:GLU83 4.9 53.0 1.0 CG1 B:VAL84 5.0 49.7 1.0

Bromine binding site 6 out of 6 in the The Crystal Structure of Human Fascin 1 S39D Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Crystal Structure of Human Fascin 1 S39D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:86.7 occ:1.00 OG B:SER218 3.2 51.3 1.0 NH1 B:ARG217 3.5 45.1 1.0 CD B:ARG217 3.8 43.8 1.0 CE B:LYS250 4.0 56.5 1.0 CB B:ALA58 4.0 42.6 1.0 CD1 B:LEU253 4.1 41.7 1.0 CG B:ARG217 4.2 42.2 1.0 CB B:SER218 4.2 50.0 1.0 CB B:ARG217 4.3 42.8 1.0 CA B:ALA58 4.3 41.0 1.0 CD B:LYS250 4.5 54.3 1.0 CZ B:ARG217 4.5 45.3 1.0 NE B:ARG217 4.6 43.2 1.0 N B:ALA58 4.8 41.9 1.0

S.Yang, F.K.Huang, J.Huang, S.Chen, J.Jakoncic, A.Leo-Macias, R.Diaz-Avalos, L.Chen, J.J.Zhang, X.Y.Huang. Molecular Mechanism of Fascin Function in Filopodial Formation. J.Biol.Chem. V. 288 274 2013.
ISSN: ISSN 0021-9258
PubMed: 23184945
DOI: 10.1074/JBC.M112.427971