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

Protein crystallography data

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

Other elements in 4goy:

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

Bromine (Br) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 10 binding sites of Chlorine where determined in the The Crystal Structure of Human Fascin 1 K41A Mutant, PDB code: 4goy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4goy

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Chlorine binding site 1 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl504

b:48.5
occ:1.00
 OG1 A:THR320 4.3 75.2 1.0
CG2 A:THR320 4.4 73.2 1.0

Chlorine binding site 2 out of 10 in 4goy

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Chlorine binding site 2 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl505

b:41.9
occ:1.00
 N A:PRO128 3.5 29.2 1.0
CD A:PRO128 3.6 31.2 1.0
C A:SER127 3.8 27.9 1.0
NZ A:LYS131 3.9 40.1 1.0
CD A:LYS131 3.9 33.9 1.0
CA A:PRO128 4.0 28.5 1.0
CA A:SER127 4.1 28.3 1.0
O A:VAL126 4.2 29.9 1.0
O A:SER127 4.3 26.9 1.0
CG A:PRO128 4.5 31.8 1.0
CE A:LYS131 4.5 37.3 1.0
CB A:PRO128 4.5 31.0 1.0
O A:HOH615 4.7 41.7 1.0
C A:VAL126 4.8 28.7 1.0
N A:SER127 4.9 27.6 1.0
CG1 A:VAL126 4.9 28.4 1.0

Chlorine binding site 3 out of 10 in 4goy

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Chlorine binding site 3 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl506

b:58.5
occ:1.00
 N A:ASP420 3.1 35.7 1.0
O A:HOH703 3.5 56.5 1.0
CA A:ASP420 3.8 37.8 1.0
O A:HOH754 3.9 44.2 1.0
CD2 A:PHE418 3.9 30.1 1.0
CA A:ASN419 4.0 34.5 1.0
CE2 A:PHE418 4.0 30.2 1.0
C A:ASN419 4.0 34.6 1.0
O A:PHE418 4.2 34.5 1.0
O A:HOH683 4.4 45.1 1.0
CB A:ASP420 4.5 41.0 1.0
N A:ASN419 4.5 32.2 1.0
C A:PHE418 4.7 32.4 1.0
OD1 A:ASN419 4.8 40.5 1.0

Chlorine binding site 4 out of 10 in 4goy

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Chlorine binding site 4 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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
A:Cl507

b:62.9
occ:1.00
 O A:HOH694 3.1 40.1 1.0
N A:ASN459 3.2 49.5 1.0
SG A:CYS260 3.5 34.9 0.5
CD1 A:TYR458 3.6 69.4 1.0
OD1 A:ASN459 3.7 52.1 1.0
O A:LEU296 3.8 43.6 1.0
OH A:TYR493 3.8 35.3 1.0
CA A:TYR458 3.9 59.6 1.0
O A:ASP457 3.9 53.5 1.0
CA A:ASN459 4.0 44.6 1.0
CE1 A:TYR458 4.1 70.1 1.0
C A:TYR458 4.1 54.8 1.0
CA A:GLU297 4.3 48.6 1.0
N A:ILE298 4.3 55.2 1.0
CG1 A:ILE298 4.3 54.6 1.0
C A:LEU296 4.5 41.0 1.0
CG A:TYR458 4.5 68.0 1.0
CG A:ASN459 4.7 51.6 1.0
N A:GLU297 4.7 44.0 1.0
C A:ASP457 4.7 56.4 1.0
N A:TYR458 4.8 59.6 1.0
CB A:TYR458 4.8 66.2 1.0
C A:GLU297 4.8 52.5 1.0
CB A:ASN459 4.8 49.3 1.0
CB A:CYS260 4.9 31.5 0.5
SG A:CYS260 4.9 32.5 0.5
CB A:CYS260 5.0 32.0 0.5

Chlorine binding site 5 out of 10 in 4goy

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Chlorine binding site 5 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl506

b:35.5
occ:1.00
 NH1 B:ARG110 3.2 34.9 1.0
OE1 B:GLN124 3.2 47.2 1.0
NH2 B:ARG110 3.5 38.1 1.0
CD B:GLN124 3.6 44.7 1.0
CZ B:ARG110 3.8 35.7 1.0
CE2 B:PHE122 4.0 34.4 1.0
NE2 B:GLN124 4.1 45.7 1.0
CZ B:PHE122 4.2 34.9 1.0
O B:HOH787 4.2 62.2 1.0
CG B:GLN124 4.3 40.8 1.0
CD2 B:PHE122 4.8 32.9 1.0

Chlorine binding site 6 out of 10 in 4goy

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Chlorine binding site 6 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl507

b:43.1
occ:1.00
 NH1 B:ARG185 3.1 39.9 1.0
O B:HOH815 3.2 37.2 1.0
NE2 B:GLN182 3.4 29.7 1.0
O B:GLN182 3.4 33.5 1.0
O B:HOH806 3.4 45.2 1.0
CD B:ARG185 4.1 33.5 1.0
O B:ASP183 4.2 43.5 1.0
CG B:ARG185 4.2 32.3 1.0
CG B:GLN182 4.2 29.5 1.0
CB B:ARG185 4.2 30.5 1.0
CD B:GLN182 4.2 29.2 1.0
CZ B:ARG185 4.3 38.6 1.0
CA B:PRO208 4.4 32.0 1.0
C B:GLN182 4.4 32.9 1.0
CB B:ASP183 4.5 42.4 1.0
NE B:ARG185 4.6 36.4 1.0
CB B:GLN182 4.8 29.0 1.0
O B:GLU207 4.8 31.3 1.0
C B:ASP183 4.8 39.9 1.0
N B:ARG185 4.9 32.4 1.0
N B:PRO208 4.9 33.2 1.0
CA B:GLY211 5.0 25.7 1.0

Chlorine binding site 7 out of 10 in 4goy

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Chlorine binding site 7 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl508

b:44.4
occ:1.00
 N B:LYS399 3.3 46.0 1.0
NH2 B:ARG408 3.8 40.5 1.0
CA B:ARG398 3.8 41.8 1.0
NH1 B:ARG408 3.8 40.6 1.0
C B:ARG398 3.9 44.0 1.0
CG A:PRO487 4.0 46.1 1.0
CD A:PRO487 4.0 45.5 1.0
CG B:ARG398 4.1 43.5 1.0
CB B:LYS399 4.2 52.2 1.0
CA B:LYS399 4.3 49.3 1.0
CZ B:ARG408 4.3 39.3 1.0
CB B:ARG398 4.4 42.8 1.0
O B:CYS397 4.5 38.4 1.0
N B:VAL400 4.5 50.6 1.0
CG B:LYS399 4.6 53.7 1.0
CG2 B:VAL400 4.8 53.8 1.0
C B:LYS399 4.9 51.4 1.0
N B:ARG398 5.0 39.2 1.0
O B:ARG398 5.0 45.8 1.0

Chlorine binding site 8 out of 10 in 4goy

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Chlorine binding site 8 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl509

b:74.9
occ:1.00
 C B:GLY235 3.6 44.7 1.0
O B:GLY235 3.7 43.5 1.0
CA B:GLY235 3.9 44.0 1.0
N B:PRO236 4.0 46.0 1.0
NH1 B:ARG149 4.3 37.4 1.0
O B:HOH650 4.3 38.0 1.0
N B:GLY235 4.3 42.8 1.0
CA B:PRO236 4.4 46.5 1.0
O B:HOH786 4.7 59.0 1.0
CZ B:ARG149 4.8 36.3 1.0
NH2 B:ARG149 4.8 36.7 1.0
CD B:PRO236 4.9 46.9 1.0

Chlorine binding site 9 out of 10 in 4goy

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Chlorine binding site 9 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Human Fascin 1 K41A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl510

b:63.8
occ:1.00
 NH2 B:ARG100 3.3 34.2 1.0
NH1 B:ARG100 3.4 36.1 1.0
CB A:PHE29 3.5 59.4 1.0
CB B:PRO128 3.6 36.9 1.0
CG B:PRO128 3.7 38.2 1.0
CZ B:ARG100 3.8 34.2 1.0
O B:HOH628 4.2 32.5 1.0
CA B:PRO128 4.2 35.0 1.0
CG A:PHE29 4.3 61.1 1.0
C A:PHE29 4.5 56.2 1.0
N A:GLY30 4.5 57.1 1.0
CA A:PHE29 4.6 56.9 1.0
CD B:LYS131 4.8 31.3 1.0
CD B:PRO128 4.9 38.5 1.0
O A:PHE29 5.0 54.6 1.0
CD2 A:PHE29 5.0 60.9 1.0
N B:PRO128 5.0 36.5 1.0

Chlorine binding site 10 out of 10 in 4goy

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Chlorine binding site 10 out of 10 in the The Crystal Structure of Human Fascin 1 K41A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of Human Fascin 1 K41A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl511

b:48.2
occ:1.00
 O B:HOH761 3.2 50.6 1.0
OG B:SER218 3.2 41.9 1.0
NH1 B:ARG217 3.2 35.5 1.0
CD B:ARG217 3.7 32.9 1.0
CE B:LYS250 3.7 39.2 1.0
CD1 B:LEU253 4.0 30.3 1.0
CB B:ALA58 4.1 34.2 1.0
CG B:ARG217 4.2 31.8 1.0
CD B:LYS250 4.3 37.5 1.0
CZ B:ARG217 4.3 33.8 1.0
CB B:SER218 4.3 39.3 1.0
CB B:ARG217 4.4 32.3 1.0
CA B:ALA58 4.4 33.4 1.0
NE B:ARG217 4.5 32.3 1.0
N B:ALA58 4.8 36.6 1.0
NZ B:LYS250 5.0 40.9 1.0
CG B:LEU253 5.0 29.1 1.0

Reference:

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
Page generated: Sun Jul 21 14:51:02 2024

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