Chlorine in PDB 4w9n: Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Enzymatic activity of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
All present enzymatic activity of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan:
2.3.1.39;
Protein crystallography data
The structure of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan, PDB code: 4w9n
was solved by
K.H.Sippel,
N.K.Vyas,
B.Sankaran,
F.A.Quiocho,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
26.43 /
1.84
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
68.564,
75.834,
83.264,
65.38,
88.87,
65.08
|
R / Rfree (%)
|
20.6 /
23.3
|
Other elements in 4w9n:
The structure of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
(pdb code 4w9n). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan, PDB code: 4w9n:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 1 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1902
b:38.4
occ:1.00
|
H
|
A:GLN1714
|
2.5
|
45.5
|
1.0
|
HE21
|
A:GLN1714
|
2.6
|
51.5
|
1.0
|
HB2
|
A:GLN1714
|
2.7
|
39.4
|
1.0
|
HA
|
A:PHE1712
|
2.7
|
34.2
|
1.0
|
HD2
|
A:PRO1713
|
2.8
|
38.8
|
1.0
|
HD1
|
A:PHE1712
|
3.1
|
31.1
|
1.0
|
HB3
|
A:PHE1712
|
3.2
|
32.8
|
1.0
|
HD13
|
A:LEU1689
|
3.3
|
27.4
|
1.0
|
N
|
A:GLN1714
|
3.3
|
37.9
|
1.0
|
CA
|
A:PHE1712
|
3.4
|
28.5
|
1.0
|
NE2
|
A:GLN1714
|
3.4
|
42.9
|
1.0
|
N
|
A:PRO1713
|
3.5
|
34.5
|
1.0
|
CD
|
A:PRO1713
|
3.5
|
32.3
|
1.0
|
C
|
A:PHE1712
|
3.5
|
34.1
|
1.0
|
CB
|
A:GLN1714
|
3.5
|
32.9
|
1.0
|
HG3
|
A:GLN1714
|
3.6
|
53.5
|
1.0
|
CB
|
A:PHE1712
|
3.7
|
27.3
|
1.0
|
CG
|
A:GLN1714
|
3.9
|
44.6
|
1.0
|
HE22
|
A:GLN1714
|
3.9
|
51.5
|
1.0
|
CD1
|
A:PHE1712
|
4.0
|
25.9
|
1.0
|
HD3
|
A:PRO1713
|
4.0
|
38.8
|
1.0
|
CA
|
A:GLN1714
|
4.0
|
40.9
|
1.0
|
CD1
|
A:LEU1689
|
4.1
|
22.8
|
1.0
|
HD12
|
A:LEU1689
|
4.1
|
27.4
|
1.0
|
CD
|
A:GLN1714
|
4.2
|
49.3
|
1.0
|
HB3
|
A:GLN1714
|
4.2
|
39.4
|
1.0
|
O
|
A:PHE1712
|
4.3
|
33.4
|
1.0
|
C
|
A:PRO1713
|
4.3
|
37.8
|
1.0
|
CG
|
A:PHE1712
|
4.4
|
25.6
|
1.0
|
CA
|
A:PRO1713
|
4.4
|
49.9
|
1.0
|
HD11
|
A:LEU1689
|
4.4
|
27.4
|
1.0
|
H
|
A:LEU1715
|
4.4
|
55.8
|
1.0
|
HB2
|
A:PRO1713
|
4.5
|
58.4
|
1.0
|
O
|
A:ARG1711
|
4.5
|
30.6
|
0.6
|
O
|
A:ARG1711
|
4.5
|
31.4
|
0.4
|
HB2
|
A:PHE1712
|
4.6
|
32.8
|
1.0
|
N
|
A:PHE1712
|
4.6
|
31.1
|
1.0
|
CG
|
A:PRO1713
|
4.7
|
41.7
|
1.0
|
HA
|
A:GLN1714
|
4.7
|
49.0
|
1.0
|
CB
|
A:PRO1713
|
4.8
|
48.6
|
1.0
|
HG2
|
A:PRO1713
|
4.8
|
50.0
|
1.0
|
HG2
|
A:GLN1714
|
4.9
|
53.5
|
1.0
|
HB3
|
A:LEU1689
|
4.9
|
25.6
|
1.0
|
HH22
|
A:ARG1824
|
4.9
|
60.5
|
1.0
|
|
Chlorine binding site 2 out
of 11 in 4w9n
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Chlorine Binding Sites List in 4w9n
Chlorine binding site 2 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1903
b:44.3
occ:1.00
|
H
|
A:PHE1772
|
2.3
|
54.8
|
1.0
|
HD2
|
A:PHE1772
|
2.4
|
72.3
|
1.0
|
HD2
|
A:PHE1573
|
2.6
|
63.3
|
1.0
|
HB2
|
A:PHE1772
|
2.8
|
79.8
|
1.0
|
HA
|
A:ARG1574
|
3.1
|
34.6
|
1.0
|
HG3
|
A:MET1577
|
3.1
|
51.7
|
1.0
|
N
|
A:PHE1772
|
3.2
|
45.6
|
1.0
|
HA
|
A:LYS1771
|
3.2
|
61.1
|
1.0
|
CD2
|
A:PHE1573
|
3.3
|
52.8
|
1.0
|
HE2
|
A:PHE1573
|
3.3
|
51.8
|
1.0
|
CD2
|
A:PHE1772
|
3.3
|
60.2
|
1.0
|
O
|
A:HOH2065
|
3.4
|
42.5
|
1.0
|
HB2
|
A:ARG1574
|
3.4
|
34.5
|
1.0
|
CB
|
A:PHE1772
|
3.6
|
66.5
|
1.0
|
CE2
|
A:PHE1573
|
3.6
|
43.2
|
1.0
|
CA
|
A:ARG1574
|
3.8
|
28.8
|
1.0
|
CG
|
A:PHE1772
|
3.9
|
61.5
|
1.0
|
CG
|
A:MET1577
|
3.9
|
43.1
|
1.0
|
HG2
|
A:MET1577
|
4.0
|
51.7
|
1.0
|
CA
|
A:PHE1772
|
4.0
|
52.9
|
1.0
|
N
|
A:ARG1574
|
4.0
|
19.5
|
1.0
|
CB
|
A:ARG1574
|
4.0
|
28.7
|
1.0
|
CA
|
A:LYS1771
|
4.0
|
50.9
|
1.0
|
C
|
A:LYS1771
|
4.1
|
48.8
|
1.0
|
H
|
A:ARG1574
|
4.2
|
23.4
|
0.6
|
H
|
A:ARG1574
|
4.2
|
23.4
|
0.4
|
HB2
|
A:MET1577
|
4.2
|
44.1
|
1.0
|
HD22
|
A:LEU1583
|
4.2
|
59.1
|
1.0
|
HB3
|
A:PHE1573
|
4.3
|
32.7
|
1.0
|
HG3
|
A:ARG1574
|
4.3
|
33.8
|
1.0
|
HE
|
A:ARG1574
|
4.3
|
43.9
|
1.0
|
CG
|
A:PHE1573
|
4.4
|
50.2
|
1.0
|
CE2
|
A:PHE1772
|
4.4
|
62.2
|
1.0
|
HB3
|
A:PHE1772
|
4.4
|
79.8
|
1.0
|
C
|
A:PHE1573
|
4.4
|
21.3
|
1.0
|
HE2
|
A:PHE1772
|
4.4
|
74.7
|
1.0
|
CB
|
A:MET1577
|
4.6
|
36.7
|
1.0
|
O
|
A:PHE1573
|
4.6
|
29.0
|
1.0
|
H
|
A:ASP1773
|
4.6
|
89.7
|
1.0
|
HA
|
A:PHE1772
|
4.7
|
63.5
|
1.0
|
CG
|
A:ARG1574
|
4.7
|
28.2
|
1.0
|
CB
|
A:LYS1771
|
4.8
|
40.3
|
1.0
|
O
|
A:GLY1770
|
4.8
|
36.7
|
1.0
|
CB
|
A:PHE1573
|
4.8
|
27.2
|
1.0
|
HB3
|
A:ARG1574
|
4.8
|
34.5
|
1.0
|
CZ
|
A:PHE1573
|
4.9
|
54.7
|
1.0
|
HB3
|
A:MET1577
|
4.9
|
44.1
|
1.0
|
C
|
A:PHE1772
|
4.9
|
60.5
|
1.0
|
HD23
|
A:LEU1583
|
5.0
|
59.1
|
1.0
|
CD2
|
A:LEU1583
|
5.0
|
49.3
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 4w9n
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Chlorine Binding Sites List in 4w9n
Chlorine binding site 3 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1902
b:34.3
occ:1.00
|
H
|
B:LEU1598
|
2.4
|
29.1
|
1.0
|
HB3
|
B:PRO1585
|
3.2
|
55.9
|
1.0
|
O
|
B:HOH2056
|
3.2
|
38.0
|
1.0
|
HA
|
B:SER1597
|
3.2
|
47.3
|
1.0
|
N
|
B:LEU1598
|
3.3
|
24.2
|
1.0
|
HB2
|
B:LEU1598
|
3.3
|
26.8
|
1.0
|
HG
|
B:LEU1598
|
3.3
|
47.8
|
1.0
|
HD22
|
B:LEU1578
|
3.5
|
28.6
|
1.0
|
HD13
|
B:LEU1578
|
3.6
|
39.4
|
1.0
|
O
|
B:HOH2082
|
3.7
|
41.9
|
1.0
|
HB3
|
B:LEU1578
|
3.7
|
35.6
|
1.0
|
HG3
|
B:PRO1585
|
3.9
|
46.3
|
1.0
|
CB
|
B:LEU1598
|
4.0
|
22.3
|
1.0
|
HG
|
B:LEU1599
|
4.0
|
31.9
|
1.0
|
CA
|
B:SER1597
|
4.1
|
39.4
|
1.0
|
CB
|
B:PRO1585
|
4.1
|
46.6
|
1.0
|
CG
|
B:LEU1598
|
4.1
|
39.8
|
1.0
|
H
|
B:LEU1599
|
4.1
|
30.5
|
1.0
|
CA
|
B:LEU1598
|
4.1
|
26.6
|
1.0
|
C
|
B:SER1597
|
4.2
|
34.9
|
1.0
|
CD2
|
B:LEU1578
|
4.4
|
23.9
|
1.0
|
OG
|
B:SER1597
|
4.4
|
27.4
|
1.0
|
HD12
|
B:LEU1598
|
4.4
|
41.1
|
1.0
|
O
|
B:ASP1596
|
4.4
|
26.5
|
1.0
|
CG
|
B:PRO1585
|
4.4
|
38.6
|
1.0
|
HD3
|
B:PRO1585
|
4.5
|
50.0
|
1.0
|
CD1
|
B:LEU1578
|
4.5
|
32.8
|
1.0
|
O
|
B:HOH2073
|
4.5
|
53.9
|
1.0
|
HB2
|
B:PRO1585
|
4.5
|
55.9
|
1.0
|
N
|
B:LEU1599
|
4.5
|
25.4
|
1.0
|
CB
|
B:LEU1578
|
4.6
|
29.7
|
1.0
|
HD23
|
B:LEU1599
|
4.6
|
45.0
|
1.0
|
HD21
|
B:LEU1599
|
4.7
|
45.0
|
1.0
|
C
|
B:LEU1598
|
4.7
|
26.9
|
1.0
|
CG
|
B:LEU1578
|
4.7
|
24.8
|
1.0
|
CB
|
B:SER1597
|
4.8
|
27.7
|
1.0
|
CD1
|
B:LEU1598
|
4.8
|
34.3
|
1.0
|
CG
|
B:LEU1599
|
4.8
|
26.6
|
1.0
|
HB3
|
B:LEU1598
|
4.8
|
26.8
|
1.0
|
HD21
|
B:LEU1578
|
4.9
|
28.6
|
1.0
|
HA
|
B:PRO1585
|
4.9
|
36.4
|
1.0
|
CD2
|
B:LEU1599
|
4.9
|
37.5
|
1.0
|
HD11
|
B:LEU1578
|
4.9
|
39.4
|
1.0
|
HD23
|
B:LEU1578
|
5.0
|
28.6
|
1.0
|
CD
|
B:PRO1585
|
5.0
|
41.6
|
1.0
|
HA
|
B:LEU1598
|
5.0
|
32.0
|
1.0
|
|
Chlorine binding site 4 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 4 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1903
b:39.2
occ:1.00
|
H
|
B:GLN1714
|
2.5
|
70.8
|
1.0
|
HE21
|
B:GLN1714
|
2.5
|
69.9
|
1.0
|
HG3
|
B:GLN1714
|
2.7
|
69.5
|
1.0
|
HB2
|
B:GLN1714
|
2.7
|
63.7
|
1.0
|
HD2
|
B:PRO1713
|
2.8
|
68.5
|
1.0
|
HA
|
B:PHE1712
|
2.8
|
38.6
|
1.0
|
HD13
|
B:LEU1689
|
3.1
|
36.5
|
1.0
|
HD1
|
B:PHE1712
|
3.2
|
39.7
|
1.0
|
NE2
|
B:GLN1714
|
3.2
|
58.3
|
1.0
|
HB3
|
B:PHE1712
|
3.2
|
42.3
|
1.0
|
CG
|
B:GLN1714
|
3.3
|
57.9
|
1.0
|
N
|
B:GLN1714
|
3.4
|
59.0
|
1.0
|
CB
|
B:GLN1714
|
3.4
|
53.1
|
1.0
|
CA
|
B:PHE1712
|
3.5
|
32.1
|
1.0
|
CD
|
B:PRO1713
|
3.5
|
57.1
|
1.0
|
HG2
|
B:PRO1713
|
3.6
|
85.6
|
1.0
|
N
|
B:PRO1713
|
3.6
|
48.4
|
1.0
|
C
|
B:PHE1712
|
3.6
|
38.2
|
1.0
|
CD
|
B:GLN1714
|
3.7
|
67.3
|
1.0
|
CB
|
B:PHE1712
|
3.8
|
35.2
|
1.0
|
HE22
|
B:GLN1714
|
3.9
|
69.9
|
1.0
|
CD1
|
B:LEU1689
|
3.9
|
30.4
|
1.0
|
HD12
|
B:LEU1689
|
3.9
|
36.5
|
1.0
|
CA
|
B:GLN1714
|
4.0
|
54.5
|
1.0
|
CD1
|
B:PHE1712
|
4.0
|
33.0
|
1.0
|
CG
|
B:PRO1713
|
4.1
|
71.3
|
1.0
|
HG2
|
B:GLN1714
|
4.2
|
69.5
|
1.0
|
HB3
|
B:GLN1714
|
4.2
|
63.7
|
1.0
|
HD11
|
B:LEU1689
|
4.2
|
36.5
|
1.0
|
HD3
|
B:PRO1713
|
4.3
|
68.5
|
1.0
|
O
|
B:PHE1712
|
4.4
|
36.9
|
1.0
|
C
|
B:PRO1713
|
4.4
|
43.0
|
1.0
|
H
|
B:LEU1715
|
4.4
|
53.9
|
1.0
|
CG
|
B:PHE1712
|
4.4
|
32.7
|
1.0
|
CA
|
B:PRO1713
|
4.5
|
40.7
|
1.0
|
HA
|
B:GLN1714
|
4.6
|
65.5
|
1.0
|
HB2
|
B:PHE1712
|
4.6
|
42.3
|
1.0
|
O
|
B:ARG1711
|
4.7
|
33.6
|
1.0
|
HB3
|
B:LEU1689
|
4.7
|
35.4
|
1.0
|
HG3
|
B:PRO1713
|
4.8
|
85.6
|
1.0
|
N
|
B:PHE1712
|
4.8
|
34.5
|
1.0
|
OE1
|
B:GLN1714
|
4.8
|
76.1
|
1.0
|
CB
|
B:PRO1713
|
4.9
|
58.6
|
1.0
|
HG
|
B:LEU1715
|
5.0
|
42.9
|
1.0
|
N
|
B:LEU1715
|
5.0
|
44.9
|
1.0
|
C
|
B:GLN1714
|
5.0
|
53.6
|
1.0
|
|
Chlorine binding site 5 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 5 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1905
b:37.2
occ:0.75
|
CL14
|
B:TCL1905
|
0.0
|
37.2
|
0.8
|
C2
|
B:TCL1905
|
1.7
|
38.2
|
0.9
|
HD12
|
B:ILE1784
|
2.7
|
50.1
|
1.0
|
C1
|
B:TCL1905
|
2.7
|
37.8
|
0.9
|
C3
|
B:TCL1905
|
2.7
|
29.1
|
1.0
|
HG11
|
B:VAL1789
|
3.0
|
40.4
|
1.0
|
HB2
|
B:PHE1791
|
3.1
|
22.9
|
1.0
|
HD1
|
B:PHE1791
|
3.2
|
39.1
|
1.0
|
HD2
|
B:PHE1766
|
3.3
|
35.0
|
1.0
|
HD11
|
B:LEU1753
|
3.4
|
45.8
|
1.0
|
CD2
|
B:PHE1766
|
3.5
|
29.2
|
1.0
|
CD1
|
B:ILE1784
|
3.6
|
41.8
|
1.0
|
HG12
|
B:VAL1789
|
3.6
|
40.4
|
1.0
|
HB2
|
B:PHE1766
|
3.6
|
27.7
|
1.0
|
HD11
|
B:ILE1784
|
3.7
|
50.1
|
1.0
|
HG23
|
B:ILE1784
|
3.7
|
51.7
|
1.0
|
CG1
|
B:VAL1789
|
3.7
|
33.7
|
1.0
|
CG
|
B:PHE1766
|
3.9
|
19.3
|
1.0
|
CE2
|
B:PHE1766
|
3.9
|
34.1
|
1.0
|
C6
|
B:TCL1905
|
4.0
|
37.2
|
0.7
|
C4
|
B:TCL1905
|
4.0
|
37.5
|
1.0
|
HD13
|
B:ILE1784
|
4.0
|
50.1
|
1.0
|
CD1
|
B:PHE1791
|
4.0
|
32.5
|
1.0
|
HE2
|
B:PHE1766
|
4.1
|
40.9
|
1.0
|
CB
|
B:PHE1791
|
4.1
|
19.1
|
1.0
|
CB
|
B:PHE1766
|
4.2
|
23.1
|
1.0
|
CD1
|
B:LEU1753
|
4.3
|
38.2
|
1.0
|
HG21
|
B:ILE1784
|
4.3
|
51.7
|
1.0
|
HG13
|
B:VAL1789
|
4.4
|
40.4
|
1.0
|
HB
|
B:VAL1789
|
4.4
|
39.5
|
1.0
|
HD13
|
B:LEU1753
|
4.4
|
45.8
|
1.0
|
HG22
|
B:VAL1757
|
4.4
|
33.0
|
1.0
|
CG2
|
B:ILE1784
|
4.4
|
43.1
|
1.0
|
HB3
|
B:PHE1766
|
4.5
|
27.7
|
1.0
|
C5
|
B:TCL1905
|
4.5
|
42.0
|
0.8
|
HG13
|
B:ILE1784
|
4.5
|
38.6
|
1.0
|
CG
|
B:PHE1791
|
4.5
|
36.2
|
1.0
|
HB3
|
B:PHE1791
|
4.6
|
22.9
|
1.0
|
HD12
|
B:LEU1753
|
4.6
|
45.8
|
1.0
|
CG1
|
B:ILE1784
|
4.6
|
32.2
|
1.0
|
CD1
|
B:PHE1766
|
4.7
|
19.7
|
1.0
|
CZ
|
B:PHE1766
|
4.7
|
39.1
|
1.0
|
CB
|
B:VAL1789
|
4.7
|
32.9
|
1.0
|
HA
|
B:PHE1791
|
4.7
|
19.9
|
1.0
|
HD21
|
B:LEU1753
|
4.8
|
56.7
|
1.0
|
HG21
|
B:VAL1757
|
4.9
|
33.0
|
1.0
|
HG21
|
B:VAL1789
|
4.9
|
29.9
|
1.0
|
CA
|
B:PHE1791
|
4.9
|
16.6
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 6 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1905
b:34.3
occ:0.79
|
CL15
|
B:TCL1905
|
0.0
|
34.3
|
0.8
|
C11
|
B:TCL1905
|
1.7
|
49.5
|
0.9
|
C10
|
B:TCL1905
|
2.7
|
47.4
|
1.0
|
C12
|
B:TCL1905
|
2.7
|
35.5
|
0.9
|
HD12
|
A:ILE1784
|
2.9
|
47.4
|
1.0
|
HG11
|
A:VAL1789
|
3.1
|
21.6
|
1.0
|
HD1
|
A:PHE1791
|
3.2
|
44.0
|
1.0
|
HB2
|
A:PHE1791
|
3.2
|
28.6
|
1.0
|
HD11
|
A:LEU1753
|
3.2
|
67.1
|
1.0
|
HD1
|
A:PHE1766
|
3.4
|
39.2
|
1.0
|
CD1
|
A:PHE1766
|
3.5
|
32.6
|
1.0
|
HG12
|
A:VAL1789
|
3.5
|
21.6
|
1.0
|
HG23
|
A:ILE1784
|
3.6
|
55.8
|
1.0
|
CG1
|
A:VAL1789
|
3.7
|
18.0
|
1.0
|
CD1
|
A:ILE1784
|
3.8
|
39.5
|
1.0
|
CE1
|
A:PHE1766
|
3.8
|
35.5
|
1.0
|
HB2
|
A:PHE1766
|
3.8
|
26.9
|
1.0
|
HD11
|
A:ILE1784
|
3.9
|
47.4
|
1.0
|
CG
|
A:PHE1766
|
3.9
|
21.5
|
1.0
|
HE1
|
A:PHE1766
|
4.0
|
42.6
|
1.0
|
HD21
|
A:LEU1753
|
4.0
|
65.8
|
1.0
|
C9
|
B:TCL1905
|
4.0
|
36.6
|
0.9
|
C13
|
B:TCL1905
|
4.0
|
36.2
|
1.0
|
CD1
|
A:PHE1791
|
4.0
|
36.7
|
1.0
|
CB
|
A:PHE1791
|
4.1
|
23.8
|
1.0
|
CD1
|
A:LEU1753
|
4.2
|
55.9
|
1.0
|
HG21
|
A:ILE1784
|
4.3
|
55.8
|
1.0
|
HD13
|
A:ILE1784
|
4.3
|
47.4
|
1.0
|
CB
|
A:PHE1766
|
4.4
|
22.4
|
1.0
|
HG22
|
A:VAL1757
|
4.4
|
31.6
|
1.0
|
CG2
|
A:ILE1784
|
4.4
|
46.5
|
1.0
|
HB
|
A:VAL1789
|
4.4
|
24.8
|
1.0
|
HG13
|
A:VAL1789
|
4.4
|
21.6
|
1.0
|
HG13
|
A:ILE1784
|
4.5
|
56.8
|
1.0
|
C8
|
B:TCL1905
|
4.5
|
30.0
|
0.9
|
CZ
|
A:PHE1766
|
4.5
|
35.3
|
1.0
|
HD12
|
A:LEU1753
|
4.6
|
67.1
|
1.0
|
CG
|
A:PHE1791
|
4.6
|
27.3
|
1.0
|
CD2
|
A:PHE1766
|
4.6
|
17.7
|
1.0
|
HD13
|
A:LEU1753
|
4.6
|
67.1
|
1.0
|
HB3
|
A:PHE1791
|
4.6
|
28.6
|
1.0
|
HA
|
A:PHE1791
|
4.7
|
21.7
|
1.0
|
HB3
|
A:PHE1766
|
4.7
|
26.9
|
1.0
|
CG1
|
A:ILE1784
|
4.7
|
47.3
|
1.0
|
CB
|
A:VAL1789
|
4.7
|
20.6
|
1.0
|
HG
|
A:LEU1753
|
4.7
|
62.2
|
1.0
|
CD2
|
A:LEU1753
|
4.8
|
54.9
|
1.0
|
CG
|
A:LEU1753
|
4.8
|
51.9
|
1.0
|
HG21
|
A:VAL1757
|
4.9
|
31.6
|
1.0
|
CE2
|
A:PHE1766
|
4.9
|
27.7
|
1.0
|
CA
|
A:PHE1791
|
4.9
|
18.1
|
1.0
|
CG2
|
A:VAL1757
|
5.0
|
26.3
|
1.0
|
|
Chlorine binding site 7 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 7 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1905
b:62.4
occ:0.79
|
CL16
|
B:TCL1905
|
0.0
|
62.4
|
0.8
|
C9
|
B:TCL1905
|
1.7
|
36.6
|
0.9
|
HD11
|
B:LEU1780
|
2.6
|
66.9
|
1.0
|
C10
|
B:TCL1905
|
2.7
|
47.4
|
1.0
|
C8
|
B:TCL1905
|
2.7
|
30.0
|
0.9
|
O7
|
B:TCL1905
|
2.9
|
39.2
|
0.8
|
HD22
|
A:LEU1753
|
3.3
|
65.8
|
1.0
|
HD21
|
A:LEU1748
|
3.5
|
51.9
|
1.0
|
CD1
|
B:LEU1780
|
3.6
|
55.7
|
1.0
|
HD21
|
B:LEU1780
|
3.7
|
68.8
|
1.0
|
HD21
|
A:LEU1753
|
3.7
|
65.8
|
1.0
|
HD11
|
A:LEU1748
|
3.8
|
55.2
|
1.0
|
C5
|
B:TCL1905
|
4.0
|
42.0
|
0.8
|
HD12
|
B:LEU1780
|
4.0
|
66.9
|
1.0
|
CD2
|
A:LEU1753
|
4.0
|
54.9
|
1.0
|
C11
|
B:TCL1905
|
4.0
|
49.5
|
0.9
|
C13
|
B:TCL1905
|
4.0
|
36.2
|
1.0
|
HE1
|
A:PHE1791
|
4.0
|
59.6
|
1.0
|
HD13
|
B:LEU1780
|
4.0
|
66.9
|
1.0
|
C4
|
B:TCL1905
|
4.2
|
37.5
|
1.0
|
CE1
|
A:PHE1791
|
4.3
|
49.7
|
1.0
|
HG
|
B:LEU1780
|
4.3
|
72.9
|
1.0
|
CG
|
B:LEU1780
|
4.4
|
60.7
|
1.0
|
CD2
|
A:LEU1748
|
4.4
|
43.2
|
1.0
|
CD2
|
B:LEU1780
|
4.4
|
57.3
|
1.0
|
C12
|
B:TCL1905
|
4.5
|
35.5
|
0.9
|
HD13
|
A:LEU1753
|
4.5
|
67.1
|
1.0
|
HD23
|
A:LEU1753
|
4.5
|
65.8
|
1.0
|
HD1
|
A:PHE1791
|
4.5
|
44.0
|
1.0
|
CD1
|
A:PHE1791
|
4.6
|
36.7
|
1.0
|
HD22
|
A:LEU1748
|
4.6
|
51.9
|
1.0
|
CD1
|
A:LEU1748
|
4.7
|
46.0
|
1.0
|
CD2
|
A:LEU1780
|
4.7
|
72.3
|
1.0
|
HD11
|
A:LEU1753
|
4.7
|
67.1
|
1.0
|
HD22
|
B:LEU1780
|
4.8
|
68.8
|
1.0
|
CZ
|
A:PHE1791
|
4.9
|
24.1
|
1.0
|
HD13
|
A:LEU1748
|
4.9
|
55.2
|
1.0
|
CD1
|
A:LEU1753
|
5.0
|
55.9
|
1.0
|
|
Chlorine binding site 8 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 8 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1903
b:48.6
occ:1.00
|
H
|
C:PHE1772
|
2.4
|
43.0
|
1.0
|
HD2
|
C:PHE1772
|
2.5
|
70.3
|
1.0
|
HA
|
C:LYS1771
|
3.1
|
49.0
|
1.0
|
HB2
|
C:PHE1772
|
3.2
|
68.3
|
1.0
|
HA
|
C:ARG1574
|
3.2
|
27.2
|
1.0
|
N
|
C:PHE1772
|
3.3
|
35.9
|
1.0
|
HB2
|
C:ARG1574
|
3.3
|
31.3
|
1.0
|
CD2
|
C:PHE1772
|
3.4
|
58.6
|
1.0
|
HG3
|
C:MET1577
|
3.4
|
62.5
|
1.0
|
HD1
|
C:PHE1573
|
3.5
|
66.5
|
1.0
|
HD3
|
C:LYS1771
|
3.6
|
65.0
|
1.0
|
CB
|
C:PHE1772
|
3.9
|
56.9
|
1.0
|
CA
|
C:LYS1771
|
3.9
|
40.8
|
1.0
|
CA
|
C:ARG1574
|
3.9
|
22.6
|
1.0
|
CB
|
C:ARG1574
|
4.0
|
26.1
|
1.0
|
C
|
C:LYS1771
|
4.1
|
44.8
|
1.0
|
HB3
|
C:PHE1573
|
4.1
|
59.8
|
1.0
|
N
|
C:ARG1574
|
4.1
|
22.2
|
1.0
|
HE
|
C:ARG1574
|
4.1
|
40.4
|
1.0
|
CG
|
C:PHE1772
|
4.1
|
54.0
|
1.0
|
CD
|
C:LYS1771
|
4.1
|
54.2
|
1.0
|
HB3
|
C:LYS1771
|
4.1
|
51.8
|
1.0
|
CA
|
C:PHE1772
|
4.2
|
46.5
|
1.0
|
H
|
C:ARG1574
|
4.2
|
26.6
|
1.0
|
HG3
|
C:ARG1574
|
4.2
|
42.7
|
1.0
|
HE2
|
C:PHE1772
|
4.3
|
73.9
|
1.0
|
CG
|
C:MET1577
|
4.3
|
52.1
|
1.0
|
CE2
|
C:PHE1772
|
4.3
|
61.6
|
1.0
|
CD1
|
C:PHE1573
|
4.4
|
55.4
|
1.0
|
HD22
|
C:LEU1583
|
4.4
|
31.8
|
1.0
|
HG2
|
C:MET1577
|
4.5
|
62.5
|
1.0
|
H
|
C:ASP1773
|
4.5
|
69.0
|
1.0
|
CB
|
C:LYS1771
|
4.5
|
43.2
|
1.0
|
C
|
C:PHE1573
|
4.6
|
23.0
|
1.0
|
HB2
|
C:MET1577
|
4.6
|
45.4
|
1.0
|
CG
|
C:ARG1574
|
4.7
|
35.6
|
1.0
|
O
|
C:GLY1770
|
4.7
|
32.5
|
1.0
|
HB3
|
C:PHE1772
|
4.7
|
68.3
|
1.0
|
HB3
|
C:ARG1574
|
4.8
|
31.3
|
1.0
|
HD2
|
C:LYS1771
|
4.9
|
65.0
|
1.0
|
HA
|
C:PHE1772
|
4.9
|
55.9
|
1.0
|
NE
|
C:ARG1574
|
4.9
|
33.7
|
1.0
|
CB
|
C:PHE1573
|
4.9
|
49.8
|
1.0
|
O
|
C:PHE1573
|
4.9
|
33.6
|
1.0
|
CG
|
C:LYS1771
|
5.0
|
52.7
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 9 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1904
b:44.6
occ:0.85
|
CL14
|
D:TCL1904
|
0.0
|
44.6
|
0.8
|
C2
|
D:TCL1904
|
1.7
|
52.6
|
0.9
|
C1
|
D:TCL1904
|
2.7
|
42.9
|
0.9
|
C3
|
D:TCL1904
|
2.7
|
38.4
|
0.9
|
HD12
|
D:ILE1784
|
2.7
|
55.8
|
1.0
|
HD1
|
D:PHE1791
|
3.0
|
53.9
|
1.0
|
HB2
|
D:PHE1791
|
3.1
|
32.5
|
1.0
|
HG11
|
D:VAL1789
|
3.1
|
34.9
|
1.0
|
HD11
|
D:LEU1753
|
3.2
|
56.9
|
1.0
|
HD1
|
D:PHE1766
|
3.4
|
52.5
|
1.0
|
CD1
|
D:PHE1766
|
3.4
|
43.8
|
1.0
|
HB2
|
D:PHE1766
|
3.5
|
37.6
|
1.0
|
CD1
|
D:ILE1784
|
3.6
|
46.5
|
1.0
|
HG12
|
D:VAL1789
|
3.6
|
34.9
|
1.0
|
HD11
|
D:ILE1784
|
3.6
|
55.8
|
1.0
|
CG
|
D:PHE1766
|
3.7
|
30.8
|
1.0
|
CG1
|
D:VAL1789
|
3.8
|
29.1
|
1.0
|
CD1
|
D:PHE1791
|
3.8
|
44.9
|
1.0
|
HG23
|
D:ILE1784
|
3.9
|
54.6
|
1.0
|
CE1
|
D:PHE1766
|
3.9
|
41.8
|
1.0
|
HD13
|
D:ILE1784
|
3.9
|
55.8
|
1.0
|
C6
|
D:TCL1904
|
4.0
|
44.7
|
0.9
|
C4
|
D:TCL1904
|
4.0
|
43.6
|
0.9
|
CB
|
D:PHE1791
|
4.0
|
27.1
|
1.0
|
CB
|
D:PHE1766
|
4.1
|
31.4
|
1.0
|
CD1
|
D:LEU1753
|
4.1
|
47.5
|
1.0
|
HE1
|
D:PHE1766
|
4.1
|
50.1
|
1.0
|
HD13
|
D:LEU1753
|
4.3
|
56.9
|
1.0
|
HB3
|
D:PHE1766
|
4.3
|
37.6
|
1.0
|
HG22
|
D:VAL1757
|
4.4
|
45.5
|
1.0
|
HD12
|
D:LEU1753
|
4.4
|
56.9
|
1.0
|
CG
|
D:PHE1791
|
4.4
|
39.2
|
1.0
|
HB
|
D:VAL1789
|
4.4
|
32.6
|
1.0
|
CD2
|
D:PHE1766
|
4.4
|
29.0
|
1.0
|
HG13
|
D:VAL1789
|
4.5
|
34.9
|
1.0
|
C5
|
D:TCL1904
|
4.5
|
48.5
|
0.7
|
HB3
|
D:PHE1791
|
4.6
|
32.5
|
1.0
|
CZ
|
D:PHE1766
|
4.6
|
49.6
|
1.0
|
HA
|
D:PHE1791
|
4.6
|
26.6
|
1.0
|
HG21
|
D:ILE1784
|
4.6
|
54.6
|
1.0
|
CG2
|
D:ILE1784
|
4.7
|
45.5
|
1.0
|
HD21
|
D:LEU1753
|
4.7
|
54.5
|
1.0
|
HG13
|
D:ILE1784
|
4.7
|
58.7
|
1.0
|
CG1
|
D:ILE1784
|
4.7
|
48.9
|
1.0
|
CB
|
D:VAL1789
|
4.7
|
27.2
|
1.0
|
CE2
|
D:PHE1766
|
4.8
|
47.6
|
1.0
|
CE1
|
D:PHE1791
|
4.8
|
54.8
|
1.0
|
HE1
|
D:PHE1791
|
4.8
|
65.8
|
1.0
|
HG21
|
D:VAL1757
|
4.8
|
45.5
|
1.0
|
CA
|
D:PHE1791
|
4.9
|
22.2
|
1.0
|
CG2
|
D:VAL1757
|
5.0
|
37.9
|
1.0
|
HD2
|
D:PHE1766
|
5.0
|
34.8
|
1.0
|
HG21
|
D:VAL1789
|
5.0
|
30.6
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 4w9n
Go back to
Chlorine Binding Sites List in 4w9n
Chlorine binding site 10 out
of 11 in the Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Enoyl-Acyl Carrier Protein-Reductase Domain From Human Fatty Acid Synthase Complexed with Triclosan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1904
b:45.8
occ:0.87
|
CL15
|
D:TCL1904
|
0.0
|
45.8
|
0.9
|
C11
|
D:TCL1904
|
1.7
|
47.9
|
0.9
|
HD12
|
C:ILE1784
|
2.7
|
68.9
|
1.0
|
C10
|
D:TCL1904
|
2.7
|
32.2
|
1.0
|
C12
|
D:TCL1904
|
2.7
|
30.9
|
1.0
|
HG11
|
C:VAL1789
|
3.1
|
26.0
|
1.0
|
HB2
|
C:PHE1791
|
3.1
|
42.5
|
1.0
|
HD1
|
C:PHE1791
|
3.1
|
54.2
|
1.0
|
HD11
|
C:LEU1753
|
3.2
|
43.0
|
1.0
|
HD1
|
C:PHE1766
|
3.4
|
31.6
|
1.0
|
CD1
|
C:ILE1784
|
3.5
|
57.4
|
1.0
|
HG12
|
C:VAL1789
|
3.5
|
26.0
|
1.0
|
CD1
|
C:PHE1766
|
3.6
|
26.3
|
1.0
|
HD11
|
C:ILE1784
|
3.6
|
68.9
|
1.0
|
HG23
|
C:ILE1784
|
3.7
|
51.8
|
1.0
|
HB2
|
C:PHE1766
|
3.7
|
27.7
|
1.0
|
CG1
|
C:VAL1789
|
3.7
|
21.7
|
1.0
|
CD1
|
C:PHE1791
|
4.0
|
45.2
|
1.0
|
C9
|
D:TCL1904
|
4.0
|
37.4
|
0.8
|
CG
|
C:PHE1766
|
4.0
|
22.7
|
1.0
|
HD13
|
C:ILE1784
|
4.0
|
68.9
|
1.0
|
C13
|
D:TCL1904
|
4.0
|
41.9
|
1.0
|
CE1
|
C:PHE1766
|
4.0
|
29.9
|
1.0
|
CB
|
C:PHE1791
|
4.0
|
35.4
|
1.0
|
CD1
|
C:LEU1753
|
4.1
|
35.8
|
1.0
|
HE1
|
C:PHE1766
|
4.2
|
35.9
|
1.0
|
HB
|
C:VAL1789
|
4.3
|
25.5
|
1.0
|
CB
|
C:PHE1766
|
4.3
|
23.1
|
1.0
|
HD13
|
C:LEU1753
|
4.3
|
43.0
|
1.0
|
HG21
|
C:ILE1784
|
4.3
|
51.8
|
1.0
|
HG13
|
C:VAL1789
|
4.4
|
26.0
|
1.0
|
CG2
|
C:ILE1784
|
4.5
|
43.1
|
1.0
|
HG22
|
C:VAL1757
|
4.5
|
36.9
|
1.0
|
HD12
|
C:LEU1753
|
4.5
|
43.0
|
1.0
|
CG
|
C:PHE1791
|
4.5
|
43.7
|
1.0
|
HG13
|
C:ILE1784
|
4.5
|
64.8
|
1.0
|
C8
|
D:TCL1904
|
4.5
|
32.7
|
0.8
|
HB3
|
C:PHE1791
|
4.5
|
42.5
|
1.0
|
HB3
|
C:PHE1766
|
4.6
|
27.7
|
1.0
|
CG1
|
C:ILE1784
|
4.6
|
54.0
|
1.0
|
HD21
|
C:LEU1753
|
4.6
|
66.0
|
1.0
|
CB
|
C:VAL1789
|
4.6
|
21.3
|
1.0
|
HA
|
C:PHE1791
|
4.6
|
28.3
|
1.0
|
CD2
|
C:PHE1766
|
4.7
|
24.1
|
1.0
|
CZ
|
C:PHE1766
|
4.8
|
36.3
|
1.0
|
HG21
|
C:VAL1757
|
4.8
|
36.9
|
1.0
|
HG21
|
C:VAL1789
|
4.9
|
29.6
|
1.0
|
CA
|
C:PHE1791
|
4.9
|
23.6
|
1.0
|
CE1
|
C:PHE1791
|
5.0
|
62.4
|
1.0
|
|
Reference:
K.H.Sippel,
N.K.Vyas,
W.Zhang,
B.Sankaran,
F.A.Quiocho.
Crystal Structure of the Human Fatty Acid Synthase Enoyl-Acyl Carrier Protein-Reductase Domain Complexed with Triclosan Reveals Allosteric Protein-Protein Interface Inhibition. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25301948
DOI: 10.1074/JBC.M114.608547
Page generated: Fri Jul 26 02:44:10 2024
|