Bromine in PDB 4gp0: The Crystal Structure of Human Fascin 1 R149A K150A R151A Mutant

The structure of The Crystal Structure of Human Fascin 1 R149A K150A R151A Mutant, PDB code: 4gp0 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 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	159.907, 71.218, 109.735, 90.00, 130.28, 90.00
R / Rfree (%)	20 / 24.9

The structure of The Crystal Structure of Human Fascin 1 R149A K150A R151A Mutant also contains other interesting chemical elements:

Chlorine

(Cl)

29 atoms

The binding sites of Bromine atom in the The Crystal Structure of Human Fascin 1 R149A K150A R151A Mutant (pdb code 4gp0). 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 R149A K150A R151A Mutant, PDB code: 4gp0:
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 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:52.2 occ:1.00 N A:ASP88 3.4 43.2 1.0 CA A:GLY86 3.5 49.2 1.0 CB A:ASP88 3.6 41.5 1.0 C A:GLY86 3.6 47.6 1.0 CD A:PRO87 3.6 48.9 1.0 N A:PRO87 3.7 47.8 1.0 CA A:ASP88 3.9 41.2 1.0 N A:GLY86 4.0 49.2 1.0 SG A:CYS89 4.0 40.7 1.0 N A:CYS89 4.2 40.4 1.0 O A:GLY86 4.2 47.0 1.0 CG A:ARG82 4.4 58.7 1.0 C A:ASP88 4.4 39.7 1.0 C A:PRO87 4.4 44.6 1.0 CG A:ASP88 4.5 42.3 1.0 O A:HOH705 4.6 38.4 1.0 CA A:PRO87 4.6 46.3 1.0 OD2 A:ASP88 4.7 43.6 1.0 CG A:PRO87 4.9 48.8 1.0 CD A:ARG82 5.0 64.0 1.0

Bromine binding site 2 out of 7 in the The Crystal Structure of Human Fascin 1 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:43.3 occ:1.00 N B:ASP168 3.3 35.0 1.0 NH2 B:ARG167 3.6 30.6 1.0 CG B:ARG167 3.8 32.0 1.0 CB B:ASP168 3.9 38.1 1.0 N B:VAL169 3.9 33.1 1.0 CG2 B:VAL169 3.9 32.6 1.0 C7 B:EPE533 3.9 72.9 1.0 C3 B:EPE533 3.9 73.9 1.0 CA B:ARG167 4.0 33.9 1.0 CA B:ASP168 4.1 35.9 1.0 C B:ARG167 4.1 34.4 1.0 CB B:ARG167 4.1 32.2 1.0 O B:VAL169 4.2 31.1 1.0 CG B:ASP168 4.3 41.0 1.0 OD2 B:ASP168 4.5 42.7 1.0 N4 B:EPE533 4.5 73.6 1.0 C B:ASP168 4.5 34.9 1.0 CD B:ARG167 4.6 31.5 1.0 CZ B:ARG167 4.7 30.5 1.0 OD2 B:ASP290 4.8 35.4 1.0 CA B:VAL169 4.8 32.2 1.0 C5 B:EPE533 4.8 74.7 1.0 C2 B:EPE533 4.9 75.5 1.0 N1 B:EPE533 4.9 74.9 1.0 CB B:VAL169 5.0 32.6 1.0 OD1 B:ASP168 5.0 42.3 1.0

Bromine binding site 3 out of 7 in the The Crystal Structure of Human Fascin 1 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:39.8 occ:1.00 N B:ASP88 3.4 28.6 1.0 CA B:GLY86 3.5 32.3 1.0 C B:GLY86 3.6 30.9 1.0 CB B:ASP88 3.6 28.6 1.0 NE B:ARG82 3.7 38.1 1.0 N B:PRO87 3.7 30.6 1.0 SG B:CYS89 3.7 28.1 1.0 CZ B:ARG82 3.8 39.2 1.0 CD B:PRO87 3.9 31.1 1.0 CA B:ASP88 3.9 27.8 1.0 N B:GLY86 3.9 34.1 1.0 N B:CYS89 4.0 27.0 1.0 NH2 B:ARG82 4.0 39.2 1.0 CD B:ARG82 4.1 36.1 1.0 O B:GLY86 4.1 29.8 1.0 NH1 B:ARG82 4.2 40.7 1.0 C B:ASP88 4.3 27.4 1.0 C B:PRO87 4.4 28.5 1.0 CG B:ARG82 4.4 35.1 1.0 CG B:ASP88 4.6 29.3 1.0 CA B:PRO87 4.6 29.6 1.0 CB B:CYS89 4.8 27.1 1.0 OD2 B:ASP88 4.8 29.6 1.0

Bromine binding site 4 out of 7 in the The Crystal Structure of Human Fascin 1 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:49.7 occ:1.00 NH1 B:ARG185 3.3 37.4 1.0 NE2 B:GLN182 3.4 36.4 1.0 CB B:GLN182 3.8 36.0 1.0 N B:GLN184 3.9 41.2 1.0 N B:ASP183 4.0 40.5 1.0 CG B:GLN184 4.0 43.5 1.0 CG B:ARG185 4.0 33.3 1.0 CD B:ARG185 4.0 33.5 1.0 N B:ARG185 4.0 35.6 1.0 CB B:ARG185 4.1 32.8 1.0 CB B:ASP183 4.3 44.7 1.0 CZ B:ARG185 4.4 36.3 1.0 CA B:ASP183 4.5 43.0 1.0 CA B:PRO208 4.5 35.6 1.0 CD B:GLN182 4.5 35.8 1.0 O B:HOH686 4.6 42.4 1.0 C B:GLN182 4.7 38.9 1.0 CA B:ARG185 4.7 33.0 1.0 NE B:ARG185 4.7 34.9 1.0 C B:GLN184 4.7 37.2 1.0 CD B:GLN184 4.7 45.9 1.0 CA B:GLN184 4.8 40.0 1.0 CG B:GLN182 4.8 35.3 1.0 C B:ASP183 4.8 42.0 1.0 N B:PRO208 4.8 37.1 1.0 CA B:GLN182 4.9 36.9 1.0 NE2 B:GLN184 5.0 47.4 1.0 CB B:GLN184 5.0 41.9 1.0

Bromine binding site 5 out of 7 in the The Crystal Structure of Human Fascin 1 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:48.5 occ:1.00 NH2 B:ARG201 3.0 53.0 1.0 CZ B:ARG201 4.0 51.5 1.0 NE B:ARG201 4.2 50.6 1.0

Bromine binding site 6 out of 7 in the The Crystal Structure of Human Fascin 1 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br505 b:48.6 occ:1.00 N B:LYS244 3.4 42.1 1.0 N B:TYR230 3.4 34.3 1.0 CA B:GLY243 3.8 39.9 1.0 CA B:ARG229 4.0 35.6 1.0 CD B:LYS244 4.0 39.9 1.0 CG B:LYS244 4.0 39.8 1.0 CB B:LYS244 4.0 41.9 1.0 C B:GLY243 4.1 41.9 1.0 CB B:ARG229 4.1 36.9 1.0 CB B:TYR230 4.2 33.0 1.0 C B:ARG229 4.2 34.4 1.0 N B:GLY243 4.2 38.0 1.0 CD2 B:TYR230 4.3 33.3 1.0 O B:TYR230 4.3 34.0 1.0 CA B:TYR230 4.3 33.0 1.0 CA B:LYS244 4.3 42.3 1.0 CG B:ARG229 4.5 38.3 1.0 CG B:TYR230 4.7 33.1 1.0 C B:TYR230 4.8 33.1 1.0 O B:GLY228 5.0 37.2 1.0

Bromine binding site 7 out of 7 in the The Crystal Structure of Human Fascin 1 R149A K150A R151A 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 R149A K150A R151A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Br506 b:60.1 occ:1.00 NH1 B:ARG90 3.3 31.4 1.0 CD B:ARG90 3.8 28.8 1.0 C B:GLY86 3.9 30.9 1.0 N B:PRO87 3.9 30.6 1.0 CD B:PRO52 4.1 44.0 1.0 O B:GLY86 4.2 29.8 1.0 CG B:PRO52 4.2 46.0 1.0 CA B:PRO87 4.2 29.6 1.0 CD B:PRO87 4.3 31.1 1.0 CA B:GLY86 4.3 32.3 1.0 CZ B:ARG90 4.3 31.0 1.0 CG B:PRO87 4.4 31.6 1.0 NE B:ARG90 4.5 30.6 1.0 CG B:ARG90 4.6 28.3 1.0 CB B:PRO87 4.9 31.0 1.0 O B:HOH696 4.9 49.5 1.0 OD1 B:ASP53 4.9 55.7 1.0 O B:PRO85 5.0 36.5 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