Chlorine in PDB 4gp3: The Crystal Structure of Human Fascin 1 K358A Mutant
Protein crystallography data
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
|
Other elements in 4gp3:
The structure of The Crystal Structure of Human Fascin 1 K358A Mutant also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Chlorine 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 Chlorine atom.
In total 18 binding sites of Chlorine where determined in the
The Crystal Structure of Human Fascin 1 K358A Mutant, PDB code: 4gp3:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 1 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl504
b:57.2
occ:1.00
|
N
|
A:VAL485
|
3.4
|
45.0
|
1.0
|
NH2
|
B:ARG398
|
3.5
|
59.5
|
1.0
|
CB
|
A:THR484
|
3.5
|
51.6
|
1.0
|
CA
|
A:THR484
|
3.8
|
48.0
|
1.0
|
CG2
|
A:THR484
|
3.8
|
53.2
|
1.0
|
CG2
|
A:VAL485
|
3.8
|
41.3
|
1.0
|
CB
|
A:VAL485
|
4.1
|
41.6
|
1.0
|
C
|
A:THR484
|
4.1
|
45.2
|
1.0
|
CA
|
A:VAL485
|
4.3
|
42.5
|
1.0
|
NH1
|
B:ARG398
|
4.4
|
58.9
|
1.0
|
CZ
|
B:ARG398
|
4.4
|
59.1
|
1.0
|
O
|
A:VAL485
|
4.7
|
45.2
|
1.0
|
OG1
|
A:THR484
|
4.8
|
53.1
|
1.0
|
OG1
|
B:THR403
|
4.9
|
52.6
|
1.0
|
|
Chlorine binding site 2 out
of 18 in 4gp3
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Chlorine Binding Sites List in 4gp3
Chlorine binding site 2 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl505
b:66.2
occ:1.00
|
N
|
A:LYS330
|
3.3
|
66.7
|
1.0
|
CB
|
A:SER329
|
3.3
|
68.8
|
1.0
|
CE
|
A:LYS330
|
3.4
|
56.6
|
1.0
|
CA
|
A:SER329
|
3.4
|
66.5
|
1.0
|
C
|
A:SER329
|
3.8
|
67.0
|
1.0
|
CG
|
A:LYS330
|
3.9
|
58.8
|
1.0
|
CD
|
A:LYS330
|
4.1
|
58.0
|
1.0
|
CE2
|
A:TYR314
|
4.1
|
49.2
|
1.0
|
CB
|
A:LYS330
|
4.3
|
63.1
|
1.0
|
NZ
|
A:LYS330
|
4.4
|
56.3
|
1.0
|
CA
|
A:LYS330
|
4.4
|
66.0
|
1.0
|
OH
|
A:TYR314
|
4.5
|
47.8
|
1.0
|
CZ
|
A:TYR314
|
4.6
|
47.1
|
1.0
|
OG
|
A:SER329
|
4.7
|
73.2
|
1.0
|
O
|
A:SER328
|
4.7
|
63.9
|
1.0
|
N
|
A:SER329
|
4.7
|
66.3
|
1.0
|
CD2
|
A:TYR314
|
4.9
|
49.5
|
1.0
|
|
Chlorine binding site 3 out
of 18 in 4gp3
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Chlorine Binding Sites List in 4gp3
Chlorine binding site 3 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl506
b:62.4
occ:1.00
|
N
|
A:ASP420
|
3.3
|
44.1
|
1.0
|
O
|
A:HOH616
|
3.6
|
54.9
|
1.0
|
O
|
A:HOH742
|
3.8
|
54.0
|
1.0
|
CA
|
A:ASP420
|
3.8
|
46.7
|
1.0
|
CE2
|
A:PHE418
|
4.0
|
39.3
|
1.0
|
CD2
|
A:PHE418
|
4.1
|
38.2
|
1.0
|
O
|
A:HOH661
|
4.2
|
55.3
|
1.0
|
C
|
A:ASN419
|
4.4
|
44.0
|
1.0
|
CB
|
A:ASP420
|
4.5
|
50.8
|
1.0
|
CA
|
A:ASN419
|
4.6
|
43.8
|
1.0
|
O
|
A:PHE418
|
4.9
|
41.8
|
1.0
|
|
Chlorine binding site 4 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 4 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl507
b:55.2
occ:1.00
|
N
|
A:PHE418
|
3.3
|
38.4
|
1.0
|
O
|
A:HOH661
|
3.7
|
55.3
|
1.0
|
CA
|
A:GLU417
|
3.7
|
40.2
|
1.0
|
C
|
A:GLU417
|
4.0
|
39.8
|
1.0
|
CB
|
A:GLU417
|
4.0
|
43.2
|
1.0
|
O
|
A:PHE418
|
4.1
|
41.8
|
1.0
|
CB
|
A:PHE418
|
4.2
|
38.1
|
1.0
|
CA
|
A:PHE418
|
4.3
|
38.2
|
1.0
|
O2
|
A:GOL510
|
4.4
|
46.6
|
1.0
|
O
|
A:HOH704
|
4.5
|
54.6
|
1.0
|
CG
|
A:GLU417
|
4.5
|
45.7
|
1.0
|
O
|
A:LEU416
|
4.7
|
38.1
|
1.0
|
C
|
A:PHE418
|
4.7
|
40.4
|
1.0
|
O3
|
A:GOL510
|
4.7
|
46.6
|
1.0
|
C2
|
A:GOL510
|
4.7
|
44.3
|
1.0
|
C3
|
A:GOL510
|
4.9
|
44.2
|
1.0
|
N
|
A:GLU417
|
5.0
|
38.9
|
1.0
|
|
Chlorine binding site 5 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 5 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl508
b:62.2
occ:1.00
|
N
|
A:GLU83
|
3.1
|
60.5
|
1.0
|
O
|
A:HOH772
|
3.6
|
59.8
|
1.0
|
CB
|
A:GLU83
|
3.7
|
64.3
|
1.0
|
CA
|
A:GLU83
|
3.9
|
61.9
|
1.0
|
N
|
A:VAL84
|
3.9
|
63.1
|
1.0
|
CA
|
A:ARG82
|
3.9
|
59.9
|
1.0
|
C
|
A:ARG82
|
4.0
|
59.8
|
1.0
|
CG
|
A:ARG82
|
4.2
|
65.7
|
1.0
|
OE1
|
A:GLU83
|
4.3
|
67.1
|
1.0
|
CB
|
A:ARG82
|
4.3
|
61.1
|
1.0
|
C
|
A:GLU83
|
4.3
|
62.5
|
1.0
|
CG
|
A:GLU83
|
4.4
|
64.3
|
1.0
|
O
|
A:VAL84
|
4.7
|
63.8
|
1.0
|
CD
|
A:GLU83
|
4.8
|
67.5
|
1.0
|
CA
|
A:VAL84
|
4.9
|
63.2
|
1.0
|
CB
|
A:VAL84
|
4.9
|
67.7
|
1.0
|
|
Chlorine binding site 6 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 6 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl505
b:34.1
occ:1.00
|
NH1
|
B:ARG110
|
3.3
|
41.4
|
1.0
|
OE1
|
B:GLN124
|
3.3
|
53.3
|
1.0
|
NH2
|
B:ARG110
|
3.4
|
45.0
|
1.0
|
CD
|
B:GLN124
|
3.7
|
50.7
|
1.0
|
CZ
|
B:ARG110
|
3.9
|
41.9
|
1.0
|
NE2
|
B:GLN124
|
4.1
|
51.4
|
1.0
|
CE2
|
B:PHE122
|
4.1
|
43.9
|
1.0
|
CZ
|
B:PHE122
|
4.2
|
43.7
|
1.0
|
CG
|
B:GLN124
|
4.5
|
47.6
|
1.0
|
|
Chlorine binding site 7 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 7 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl506
b:41.5
occ:1.00
|
O
|
B:GLN182
|
3.1
|
48.7
|
1.0
|
NH1
|
B:ARG185
|
3.3
|
40.8
|
1.0
|
NE2
|
B:GLN182
|
3.3
|
39.7
|
1.0
|
O
|
B:HOH773
|
3.8
|
42.1
|
1.0
|
CG
|
B:ARG185
|
3.9
|
39.5
|
1.0
|
CD
|
B:ARG185
|
3.9
|
39.9
|
1.0
|
O
|
B:ASP183
|
3.9
|
59.5
|
1.0
|
CB
|
B:ARG185
|
3.9
|
39.1
|
1.0
|
CG
|
B:GLN182
|
4.1
|
40.9
|
1.0
|
CD
|
B:GLN182
|
4.2
|
39.2
|
1.0
|
C
|
B:GLN182
|
4.2
|
46.5
|
1.0
|
CZ
|
B:ARG185
|
4.4
|
41.1
|
1.0
|
CA
|
B:PRO208
|
4.4
|
39.8
|
1.0
|
CB
|
B:ASP183
|
4.4
|
57.2
|
1.0
|
N
|
B:ARG185
|
4.4
|
43.2
|
1.0
|
C
|
B:ASP183
|
4.5
|
55.0
|
1.0
|
NE
|
B:ARG185
|
4.6
|
40.4
|
1.0
|
O
|
B:HOH772
|
4.6
|
59.3
|
1.0
|
CB
|
B:GLN182
|
4.7
|
40.6
|
1.0
|
CA
|
B:ARG185
|
4.8
|
39.7
|
1.0
|
CA
|
B:ASP183
|
4.9
|
54.3
|
1.0
|
O
|
B:GLU207
|
4.9
|
39.5
|
1.0
|
N
|
B:PRO208
|
4.9
|
41.0
|
1.0
|
|
Chlorine binding site 8 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 8 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl507
b:38.0
occ:1.00
|
CD
|
B:ARG82
|
3.0
|
50.1
|
1.0
|
N
|
B:GLU83
|
3.3
|
39.5
|
1.0
|
NE
|
B:ARG82
|
3.7
|
55.0
|
1.0
|
N
|
B:VAL84
|
3.9
|
39.9
|
1.0
|
CA
|
B:ARG82
|
4.0
|
41.3
|
1.0
|
CB
|
B:GLU83
|
4.1
|
42.9
|
1.0
|
CA
|
B:GLU83
|
4.1
|
41.0
|
1.0
|
C
|
B:ARG82
|
4.2
|
39.9
|
1.0
|
CG2
|
B:VAL84
|
4.2
|
41.8
|
1.0
|
CZ
|
B:ARG82
|
4.2
|
55.4
|
1.0
|
CG
|
B:ARG82
|
4.3
|
46.2
|
1.0
|
NH1
|
B:ARG82
|
4.3
|
52.2
|
1.0
|
CB
|
B:ARG82
|
4.5
|
43.4
|
1.0
|
O
|
B:VAL84
|
4.5
|
40.2
|
1.0
|
C
|
B:GLU83
|
4.5
|
40.0
|
1.0
|
CG
|
B:GLU83
|
4.8
|
44.3
|
1.0
|
CA
|
B:VAL84
|
4.9
|
40.0
|
1.0
|
|
Chlorine binding site 9 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 9 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl508
b:44.5
occ:1.00
|
OG
|
B:SER218
|
3.2
|
43.8
|
1.0
|
NH1
|
B:ARG217
|
3.2
|
40.4
|
1.0
|
CE
|
B:LYS250
|
3.6
|
48.7
|
1.0
|
CD
|
B:ARG217
|
3.7
|
39.9
|
1.0
|
CB
|
B:ALA58
|
3.9
|
41.3
|
1.0
|
CD1
|
B:LEU253
|
4.2
|
32.6
|
1.0
|
CZ
|
B:ARG217
|
4.3
|
40.2
|
1.0
|
CG
|
B:ARG217
|
4.3
|
37.7
|
1.0
|
CB
|
B:SER218
|
4.3
|
41.4
|
1.0
|
CA
|
B:ALA58
|
4.3
|
40.8
|
1.0
|
CD
|
B:LYS250
|
4.4
|
45.6
|
1.0
|
CB
|
B:ARG217
|
4.4
|
37.8
|
1.0
|
NE
|
B:ARG217
|
4.5
|
39.7
|
1.0
|
N
|
B:ALA58
|
4.7
|
44.3
|
1.0
|
NZ
|
B:LYS250
|
4.8
|
49.2
|
1.0
|
|
Chlorine binding site 10 out
of 18 in 4gp3
Go back to
Chlorine Binding Sites List in 4gp3
Chlorine binding site 10 out
of 18 in the The Crystal Structure of Human Fascin 1 K358A 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 K358A Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl509
b:45.8
occ:1.00
|
O
|
B:HOH778
|
3.3
|
55.1
|
1.0
|
N
|
B:ASP420
|
3.3
|
46.6
|
1.0
|
CA
|
B:ASP420
|
3.8
|
47.5
|
1.0
|
CE2
|
B:PHE418
|
3.8
|
40.3
|
1.0
|
CD2
|
B:PHE418
|
3.8
|
41.4
|
1.0
|
C
|
B:ASN419
|
4.4
|
46.1
|
1.0
|
CB
|
B:ASP420
|
4.5
|
48.6
|
1.0
|
CA
|
B:ASN419
|
4.6
|
45.7
|
1.0
|
CD1
|
B:LEU377
|
4.8
|
46.2
|
1.0
|
O
|
B:PHE418
|
4.9
|
44.5
|
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 14:52:17 2024
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