Bromine in PDB 4goy: The Crystal Structure of Human Fascin 1 K41A Mutant

The structure of The Crystal Structure of Human Fascin 1 K41A Mutant, PDB code: 4goy 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 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.138, 70.595, 110.979, 90.00, 130.63, 90.00
R / Rfree (%)	20.1 / 24.5

The structure of The Crystal Structure of Human Fascin 1 K41A Mutant also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

The binding sites of Bromine atom in the The Crystal Structure of Human Fascin 1 K41A Mutant (pdb code 4goy). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the The Crystal Structure of Human Fascin 1 K41A Mutant, PDB code: 4goy:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in the The Crystal Structure of Human Fascin 1 K41A 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 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:49.0 occ:1.00 CA A:GLY86 3.3 40.4 1.0 N A:ASP88 3.4 34.6 1.0 C A:GLY86 3.5 37.4 1.0 CB A:ASP88 3.5 32.2 1.0 NH1 A:ARG82 3.6 60.4 1.0 CD A:ARG82 3.7 57.2 1.0 NE A:ARG82 3.7 62.0 1.0 CZ A:ARG82 3.7 62.4 1.0 N A:GLY86 3.7 42.4 1.0 N A:PRO87 3.8 37.7 1.0 CA A:ASP88 3.9 31.9 1.0 SG A:CYS89 3.9 32.8 1.0 CD A:PRO87 3.9 39.7 1.0 O A:GLY86 3.9 35.1 1.0 O A:HOH767 4.2 55.5 1.0 N A:CYS89 4.3 30.8 1.0 C A:ASP88 4.4 30.5 1.0 NH2 A:ARG82 4.4 66.0 1.0 CG A:ASP88 4.4 32.9 1.0 C A:PRO87 4.5 35.0 1.0 CG A:PRO87 4.5 39.3 1.0 CA A:PRO87 4.7 36.2 1.0 CG A:ARG82 4.8 54.0 1.0 OD2 A:ASP88 4.8 32.5 1.0 C A:PRO85 4.9 45.6 1.0

Bromine binding site 2 out of 8 in the The Crystal Structure of Human Fascin 1 K41A 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 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:49.0 occ:1.00 N A:ASP168 3.3 30.8 1.0 NH1 A:ARG167 3.4 33.6 1.0 N A:VAL169 3.6 30.4 1.0 CG2 A:VAL169 3.8 30.3 1.0 CB A:ASP168 3.9 32.2 1.0 O A:VAL169 3.9 28.6 1.0 CG A:ARG167 3.9 32.2 1.0 CA A:ASP168 4.0 31.2 1.0 C A:ARG167 4.2 31.0 1.0 CA A:ARG167 4.3 31.7 1.0 C A:ASP168 4.3 31.1 1.0 CB A:ARG167 4.3 31.2 1.0 CD A:ARG167 4.4 32.8 1.0 CZ A:ARG167 4.5 34.5 1.0 CA A:VAL169 4.5 30.2 1.0 OD2 A:ASP168 4.6 32.8 1.0 C A:VAL169 4.7 29.4 1.0 CB A:VAL169 4.8 30.9 1.0 CG A:ASP168 4.8 33.1 1.0 NE A:ARG167 4.9 33.6 1.0

Bromine binding site 3 out of 8 in the The Crystal Structure of Human Fascin 1 K41A 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 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:65.3 occ:1.00 N A:VAL126 3.7 29.1 1.0 CA A:THR125 3.8 29.9 1.0 CB A:THR125 3.9 30.8 1.0 CG2 A:THR125 4.0 31.2 1.0 C A:THR125 4.3 29.4 1.0 O A:GLN124 4.8 28.9 1.0 CA A:VAL126 4.8 28.5 1.0 CB A:VAL126 4.8 28.5 1.0

Bromine binding site 4 out of 8 in the The Crystal Structure of Human Fascin 1 K41A 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 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:41.7 occ:1.00 N B:ASP88 3.5 25.8 1.0 CA B:GLY86 3.6 28.6 1.0 C B:GLY86 3.6 27.4 1.0 CB B:ASP88 3.6 27.3 1.0 CZ B:ARG82 3.6 43.1 1.0 SG B:CYS89 3.7 26.2 1.0 NH1 B:ARG82 3.8 41.0 1.0 N B:PRO87 3.8 27.5 1.0 NH2 B:ARG82 3.9 46.5 1.0 N B:GLY86 3.9 29.0 1.0 CD B:PRO87 3.9 29.0 1.0 NE B:ARG82 3.9 43.6 1.0 CA B:ASP88 4.0 25.9 1.0 O B:GLY86 4.0 25.7 1.0 N B:CYS89 4.1 24.2 1.0 CG B:ARG82 4.1 36.4 1.0 C B:ASP88 4.4 25.1 1.0 CG B:ASP88 4.5 28.9 1.0 CD B:ARG82 4.5 40.1 1.0 O B:HOH652 4.5 60.7 1.0 C B:PRO87 4.5 25.6 1.0 CA B:PRO87 4.7 26.6 1.0 OD2 B:ASP88 4.8 31.1 1.0 CB B:CYS89 4.9 23.5 1.0 O B:HOH685 5.0 39.6 1.0

Bromine binding site 5 out of 8 in the The Crystal Structure of Human Fascin 1 K41A 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 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:46.0 occ:1.00 N B:LYS244 3.4 36.0 1.0 N B:TYR230 3.5 31.8 1.0 CA B:GLY243 3.8 35.3 1.0 CG B:LYS244 3.9 34.2 1.0 CD B:LYS244 4.0 34.8 1.0 CB B:ARG229 4.0 34.2 1.0 CA B:ARG229 4.0 33.3 1.0 CB B:LYS244 4.1 36.3 1.0 C B:GLY243 4.1 35.8 1.0 O B:TYR230 4.2 32.1 1.0 N B:GLY243 4.2 33.5 1.0 CD2 B:TYR230 4.3 34.7 1.0 C B:ARG229 4.3 32.1 1.0 CA B:LYS244 4.4 36.5 1.0 CA B:TYR230 4.4 31.1 1.0 CB B:TYR230 4.4 31.6 1.0 CG B:ARG229 4.6 37.0 1.0 C B:TYR230 4.8 30.8 1.0 CG B:TYR230 4.9 32.6 1.0

Bromine binding site 6 out of 8 in the The Crystal Structure of Human Fascin 1 K41A 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 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:52.5 occ:1.00 N B:ASP168 3.4 33.3 1.0 NH1 B:ARG167 3.4 33.8 1.0 CG B:ARG167 3.7 32.4 1.0 N B:VAL169 3.8 32.2 1.0 O B:VAL169 3.9 31.1 1.0 CA B:ARG167 3.9 32.0 1.0 CB B:ARG167 4.0 31.1 1.0 CG2 B:VAL169 4.0 32.9 1.0 C B:ARG167 4.1 32.0 1.0 CB B:ASP168 4.2 36.0 1.0 CA B:ASP168 4.2 34.0 1.0 OD2 B:ASP168 4.3 39.6 1.0 CD B:ARG167 4.4 31.7 1.0 CG B:ASP168 4.4 38.0 1.0 CZ B:ARG167 4.5 33.8 1.0 C B:ASP168 4.6 32.5 1.0 OD2 B:ASP290 4.6 49.4 1.0 CA B:VAL169 4.7 31.0 1.0 C B:VAL169 4.8 30.2 1.0 NE B:ARG167 4.8 32.4 1.0 CB B:VAL169 5.0 32.2 1.0

Bromine binding site 7 out of 8 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Crystal Structure of Human Fascin 1 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:65.7 occ:1.00 CD B:ARG82 3.1 40.1 1.0 N B:GLU83 3.3 32.3 1.0 NE B:ARG82 3.6 43.6 1.0 N B:VAL84 3.9 32.3 1.0 CB B:GLU83 4.1 36.1 1.0 CA B:ARG82 4.1 32.6 1.0 CA B:GLU83 4.1 33.4 1.0 C B:ARG82 4.1 31.8 1.0 CZ B:ARG82 4.2 43.1 1.0 CG2 B:VAL84 4.2 33.9 1.0 CG B:ARG82 4.3 36.4 1.0 NH1 B:ARG82 4.3 41.0 1.0 C B:GLU83 4.5 33.1 1.0 CB B:ARG82 4.5 33.2 1.0 O B:VAL84 4.5 31.4 1.0 CA B:VAL84 4.9 31.7 1.0 CG B:GLU83 4.9 37.8 1.0 CB B:VAL84 5.0 32.8 1.0

Bromine binding site 8 out of 8 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Crystal Structure of Human Fascin 1 K41A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br505 b:66.0 occ:1.00 NE B:ARG90 3.4 30.8 1.0 N B:PRO87 3.7 27.5 1.0 C B:GLY86 3.8 27.4 1.0 CA B:PRO87 4.0 26.6 1.0 CA B:GLY86 4.1 28.6 1.0 CD B:ARG90 4.1 27.2 1.0 CG B:PRO52 4.1 43.1 1.0 NH2 B:ARG90 4.2 33.9 1.0 O B:GLY86 4.2 25.7 1.0 CZ B:ARG90 4.2 30.8 1.0 CD B:PRO87 4.2 29.0 1.0 CG B:PRO87 4.5 29.9 1.0 CG B:ARG90 4.6 25.5 1.0 CD B:PRO52 4.7 40.3 1.0 CB B:PRO87 4.8 28.3 1.0 N B:GLY86 5.0 29.0 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