Bromine in PDB 4gp3: The Crystal Structure of Human Fascin 1 K358A Mutant

The structure of The Crystal Structure of Human Fascin 1 K358A Mutant, PDB code: 4gp3 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 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.906, 70.737, 110.513, 90.00, 130.65, 90.00
R / Rfree (%)	20.3 / 25.2

The structure of The Crystal Structure of Human Fascin 1 K358A Mutant also contains other interesting chemical elements:

Chlorine

(Cl)

18 atoms

The binding sites of Bromine atom in the The Crystal Structure of Human Fascin 1 K358A Mutant (pdb code 4gp3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the The Crystal Structure of Human Fascin 1 K358A Mutant, PDB code: 4gp3:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:46.0 occ:1.00 N A:ASP168 3.3 36.5 1.0 NH1 A:ARG167 3.3 36.9 1.0 N A:VAL169 3.6 36.3 1.0 CG A:ARG167 3.8 36.7 1.0 CB A:ASP168 4.0 39.8 1.0 O A:VAL169 4.0 33.8 1.0 CG2 A:VAL169 4.0 35.4 1.0 CA A:ASP168 4.0 37.6 1.0 CA A:ARG167 4.2 36.5 1.0 C A:ARG167 4.2 36.7 1.0 CB A:ARG167 4.3 36.0 1.0 C A:ASP168 4.3 36.7 1.0 CD A:ARG167 4.4 37.7 1.0 CZ A:ARG167 4.4 38.1 1.0 CA A:VAL169 4.6 34.9 1.0 OD2 A:ASP168 4.7 42.3 1.0 C A:VAL169 4.8 33.7 1.0 OD2 A:ASP290 4.8 40.7 1.0 NE A:ARG167 4.8 37.9 1.0 CG A:ASP168 4.9 42.0 1.0 CB A:VAL169 4.9 36.3 1.0

Bromine binding site 2 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:56.9 occ:1.00 CA A:GLY86 3.3 50.5 1.0 N A:ASP88 3.4 46.2 1.0 C A:GLY86 3.5 48.2 1.0 CB A:ASP88 3.5 45.7 1.0 CD A:ARG82 3.7 69.2 1.0 N A:GLY86 3.8 52.8 1.0 NE A:ARG82 3.8 73.0 1.0 NH1 A:ARG82 3.8 71.0 1.0 N A:PRO87 3.8 49.0 1.0 CZ A:ARG82 3.9 73.9 1.0 O A:GLY86 3.9 46.5 1.0 CA A:ASP88 3.9 44.4 1.0 SG A:CYS89 4.0 44.5 1.0 CD A:PRO87 4.0 51.0 1.0 N A:CYS89 4.3 42.2 1.0 CG A:ASP88 4.4 46.4 1.0 C A:ASP88 4.4 42.9 1.0 CG A:PRO87 4.5 50.8 1.0 O A:HOH772 4.5 59.8 1.0 C A:PRO87 4.5 46.3 1.0 CG A:ARG82 4.6 65.7 1.0 NH2 A:ARG82 4.6 75.9 1.0 OD2 A:ASP88 4.7 47.8 1.0 CA A:PRO87 4.7 47.7 1.0 C A:PRO85 4.9 56.4 1.0

Bromine binding site 3 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:65.8 occ:1.00 N A:VAL126 3.4 41.3 1.0 CA A:THR125 3.6 43.4 1.0 CB A:THR125 3.7 44.8 1.0 C A:THR125 4.0 41.6 1.0 CG2 A:THR125 4.0 45.6 1.0 CA A:VAL126 4.5 40.2 1.0 CB A:VAL126 4.6 40.2 1.0 O A:GLN124 4.7 43.4 1.0 O A:VAL126 4.8 43.5 1.0 N A:THR125 4.9 42.2 1.0 CG2 A:VAL126 4.9 39.2 1.0 OG1 A:THR125 5.0 46.6 1.0

Bromine binding site 4 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:44.6 occ:1.00 N B:ASP168 3.3 37.9 1.0 NH1 B:ARG167 3.5 37.2 1.0 CG B:ARG167 3.8 36.0 1.0 N B:VAL169 3.9 37.1 1.0 CA B:ARG167 3.9 37.4 1.0 CB B:ASP168 4.0 40.6 1.0 CB B:ARG167 4.0 36.0 1.0 C B:ARG167 4.0 37.3 1.0 O B:VAL169 4.1 35.9 1.0 CA B:ASP168 4.1 37.8 1.0 CG2 B:VAL169 4.2 37.7 1.0 CD B:ARG167 4.5 36.5 1.0 CG B:ASP168 4.5 41.5 1.0 C B:ASP168 4.6 36.5 1.0 CZ B:ARG167 4.6 37.5 1.0 OD2 B:ASP168 4.6 44.8 1.0 OD2 B:ASP290 4.8 45.7 1.0 CA B:VAL169 4.9 35.6 1.0 C B:VAL169 4.9 35.6 1.0 NE B:ARG167 5.0 36.7 1.0

Bromine binding site 5 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:46.7 occ:1.00 N B:ASP88 3.4 35.5 1.0 CB B:ASP88 3.5 34.2 1.0 CA B:GLY86 3.5 37.2 1.0 C B:GLY86 3.6 36.3 1.0 CZ B:ARG82 3.7 55.4 1.0 NH2 B:ARG82 3.7 58.6 1.0 SG B:CYS89 3.8 36.0 1.0 N B:PRO87 3.8 36.6 1.0 CA B:ASP88 3.9 34.2 1.0 N B:GLY86 3.9 37.8 1.0 NE B:ARG82 4.0 55.0 1.0 CD B:PRO87 4.0 38.5 1.0 NH1 B:ARG82 4.0 52.2 1.0 N B:CYS89 4.0 32.3 1.0 O B:GLY86 4.1 34.0 1.0 CG B:ARG82 4.3 46.2 1.0 C B:ASP88 4.3 33.3 1.0 CG B:ASP88 4.4 35.8 1.0 C B:PRO87 4.4 35.8 1.0 CA B:PRO87 4.6 36.0 1.0 CD B:ARG82 4.6 50.1 1.0 OD2 B:ASP88 4.7 37.0 1.0 CB B:PRO87 4.9 38.5 1.0 CB B:CYS89 5.0 31.6 1.0 CG B:PRO87 5.0 40.3 1.0 O B:HOH636 5.0 47.6 1.0

Bromine binding site 6 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:43.5 occ:1.00 N B:LYS244 3.4 38.9 1.0 N B:TYR230 3.4 37.1 1.0 CA B:GLY243 3.7 39.2 1.0 CA B:ARG229 3.9 38.7 1.0 CB B:ARG229 3.9 39.2 1.0 CG B:LYS244 4.0 37.2 1.0 C B:GLY243 4.0 39.1 1.0 CB B:LYS244 4.1 38.4 1.0 CD B:LYS244 4.2 37.4 1.0 C B:ARG229 4.2 37.5 1.0 N B:GLY243 4.2 38.4 1.0 CD2 B:TYR230 4.2 39.0 1.0 O B:TYR230 4.3 36.0 1.0 CG B:ARG229 4.4 41.8 1.0 CA B:LYS244 4.4 39.2 1.0 CA B:TYR230 4.4 36.6 1.0 CB B:TYR230 4.5 35.9 1.0 CG B:TYR230 4.9 37.1 1.0 C B:TYR230 4.9 35.7 1.0

Bromine binding site 7 out of 7 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:66.3 occ:1.00 NE B:ARG90 3.4 36.8 1.0 N B:PRO87 3.7 36.6 1.0 C B:GLY86 3.7 36.3 1.0 CG B:PRO52 4.0 45.7 1.0 CD B:PRO87 4.0 38.5 1.0 CA B:PRO87 4.1 36.0 1.0 NH2 B:ARG90 4.1 39.5 1.0 O B:GLY86 4.1 34.0 1.0 CA B:GLY86 4.1 37.2 1.0 CD B:ARG90 4.2 34.3 1.0 CZ B:ARG90 4.2 36.5 1.0 CG B:PRO87 4.5 40.3 1.0 CG B:ARG90 4.6 32.1 1.0 CD B:PRO52 4.8 43.6 1.0 CB B:PRO87 4.9 38.5 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