Chlorine in PDB 4fmi: Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
Protein crystallography data
The structure of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine, PDB code: 4fmi
was solved by
U.Neu,
H.Hengel,
T.Stehle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
50.00 /
2.00
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
85.040,
85.700,
248.730,
93.02,
100.41,
108.07
|
|
R / Rfree (%)
|
19.6 /
23.6
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
21;
Binding sites:
The binding sites of Chlorine atom in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
(pdb code 4fmi). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the
Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine, PDB code: 4fmi:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 1 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl405
b:20.9
occ:1.00
|
OG
|
A:SER246
|
3.0
|
13.3
|
1.0
|
|
O
|
A:HOH503
|
3.3
|
16.9
|
1.0
|
|
O
|
A:SER246
|
3.3
|
12.1
|
1.0
|
|
O2
|
A:GOL404
|
3.3
|
41.1
|
1.0
|
|
C
|
A:SER246
|
3.4
|
12.9
|
1.0
|
|
CD2
|
A:HIS164
|
3.5
|
12.0
|
1.0
|
|
C2
|
A:GOL404
|
3.5
|
36.6
|
1.0
|
|
C
|
A:ILE247
|
3.5
|
12.7
|
1.0
|
|
CA
|
A:ILE247
|
3.6
|
12.1
|
1.0
|
|
N
|
A:ILE247
|
3.6
|
11.9
|
1.0
|
|
CB
|
A:SER246
|
3.7
|
11.9
|
1.0
|
|
N
|
A:GLN248
|
3.7
|
12.1
|
1.0
|
|
CB
|
A:ASN162
|
3.8
|
16.1
|
1.0
|
|
O
|
A:ASN162
|
3.8
|
16.5
|
1.0
|
|
C
|
A:ASN162
|
3.9
|
15.9
|
1.0
|
|
O
|
A:ILE247
|
4.0
|
13.3
|
1.0
|
|
N
|
A:HIS164
|
4.0
|
11.5
|
1.0
|
|
CB
|
A:GLN248
|
4.1
|
12.1
|
1.0
|
|
N
|
A:TYR163
|
4.1
|
14.3
|
1.0
|
|
CA
|
A:TYR163
|
4.1
|
12.1
|
1.0
|
|
CA
|
A:SER246
|
4.2
|
12.8
|
1.0
|
|
C1
|
A:GOL404
|
4.3
|
32.6
|
1.0
|
|
CG
|
A:HIS164
|
4.3
|
13.5
|
1.0
|
|
C
|
A:TYR163
|
4.4
|
12.0
|
1.0
|
|
CB
|
A:HIS164
|
4.5
|
11.7
|
1.0
|
|
CA
|
A:ASN162
|
4.5
|
16.3
|
1.0
|
|
CA
|
A:GLN248
|
4.5
|
12.9
|
1.0
|
|
NE2
|
A:HIS164
|
4.6
|
13.8
|
1.0
|
|
C3
|
A:GOL404
|
4.8
|
39.9
|
1.0
|
|
CA
|
A:HIS164
|
4.9
|
12.4
|
1.0
|
|
N
|
A:SER246
|
5.0
|
12.2
|
1.0
|
|
O
|
A:HOH531
|
5.0
|
21.0
|
1.0
|
|
Chlorine binding site 2 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 2 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:23.4
occ:1.00
|
O2
|
B:GOL401
|
3.0
|
36.9
|
1.0
|
|
OG
|
B:SER246
|
3.0
|
14.0
|
1.0
|
|
O
|
B:HOH504
|
3.1
|
15.4
|
1.0
|
|
C
|
B:ILE247
|
3.5
|
12.4
|
1.0
|
|
O
|
B:SER246
|
3.5
|
14.2
|
1.0
|
|
CD2
|
B:HIS164
|
3.5
|
15.2
|
1.0
|
|
N
|
B:GLN248
|
3.6
|
12.6
|
1.0
|
|
C
|
B:SER246
|
3.6
|
13.1
|
1.0
|
|
CA
|
B:ILE247
|
3.7
|
11.8
|
1.0
|
|
CB
|
B:ASN162
|
3.7
|
11.8
|
1.0
|
|
O
|
B:ASN162
|
3.8
|
12.3
|
1.0
|
|
N
|
B:ILE247
|
3.8
|
13.0
|
1.0
|
|
CB
|
B:SER246
|
3.8
|
12.8
|
1.0
|
|
C
|
B:ASN162
|
3.9
|
12.9
|
1.0
|
|
O
|
B:ILE247
|
3.9
|
12.8
|
1.0
|
|
CB
|
B:GLN248
|
3.9
|
13.7
|
1.0
|
|
C1
|
B:GOL401
|
4.0
|
31.7
|
1.0
|
|
C2
|
B:GOL401
|
4.0
|
34.0
|
1.0
|
|
N
|
B:HIS164
|
4.1
|
13.2
|
1.0
|
|
N
|
B:TYR163
|
4.2
|
14.4
|
1.0
|
|
CA
|
B:TYR163
|
4.3
|
13.1
|
1.0
|
|
CA
|
B:SER246
|
4.3
|
13.6
|
1.0
|
|
CG
|
B:HIS164
|
4.4
|
13.1
|
1.0
|
|
CA
|
B:GLN248
|
4.4
|
13.5
|
1.0
|
|
CA
|
B:ASN162
|
4.5
|
12.3
|
1.0
|
|
NE2
|
B:HIS164
|
4.5
|
13.7
|
1.0
|
|
C
|
B:TYR163
|
4.5
|
12.7
|
1.0
|
|
CB
|
B:HIS164
|
4.6
|
14.2
|
1.0
|
|
C3
|
B:GOL401
|
4.6
|
35.6
|
1.0
|
|
CG
|
B:ASN162
|
4.8
|
11.0
|
1.0
|
|
O
|
B:HOH612
|
4.9
|
25.0
|
1.0
|
|
CA
|
B:HIS164
|
5.0
|
12.9
|
1.0
|
|
Chlorine binding site 3 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 3 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl402
b:21.5
occ:1.00
|
O2
|
C:GOL401
|
2.9
|
38.9
|
1.0
|
|
OG
|
C:SER246
|
2.9
|
13.7
|
1.0
|
|
O
|
C:HOH547
|
3.0
|
12.3
|
1.0
|
|
C
|
C:ILE247
|
3.4
|
13.1
|
1.0
|
|
O
|
C:SER246
|
3.5
|
12.9
|
1.0
|
|
C
|
C:SER246
|
3.5
|
12.7
|
1.0
|
|
N
|
C:GLN248
|
3.6
|
13.6
|
1.0
|
|
CA
|
C:ILE247
|
3.6
|
11.4
|
1.0
|
|
N
|
C:ILE247
|
3.7
|
12.4
|
1.0
|
|
CD2
|
C:HIS164
|
3.7
|
15.7
|
1.0
|
|
CB
|
C:SER246
|
3.7
|
11.9
|
1.0
|
|
CB
|
C:ASN162
|
3.8
|
11.6
|
1.0
|
|
O
|
C:ILE247
|
3.8
|
13.0
|
1.0
|
|
C2
|
C:GOL401
|
3.8
|
34.5
|
1.0
|
|
O
|
C:ASN162
|
3.9
|
11.8
|
1.0
|
|
C1
|
C:GOL401
|
3.9
|
34.7
|
1.0
|
|
CB
|
C:GLN248
|
4.0
|
14.6
|
1.0
|
|
C
|
C:ASN162
|
4.0
|
12.5
|
1.0
|
|
C3
|
C:GOL401
|
4.2
|
35.8
|
1.0
|
|
CA
|
C:SER246
|
4.3
|
12.3
|
1.0
|
|
N
|
C:HIS164
|
4.3
|
13.1
|
1.0
|
|
N
|
C:TYR163
|
4.4
|
13.6
|
1.0
|
|
CA
|
C:GLN248
|
4.4
|
14.2
|
1.0
|
|
CG
|
C:HIS164
|
4.4
|
11.8
|
1.0
|
|
CA
|
C:TYR163
|
4.4
|
15.4
|
1.0
|
|
CB
|
C:HIS164
|
4.5
|
12.9
|
1.0
|
|
O
|
C:HOH666
|
4.5
|
35.3
|
1.0
|
|
CA
|
C:ASN162
|
4.6
|
11.4
|
1.0
|
|
C
|
C:TYR163
|
4.7
|
15.8
|
1.0
|
|
NE2
|
C:HIS164
|
4.8
|
18.7
|
1.0
|
|
O
|
C:HOH607
|
4.8
|
23.7
|
1.0
|
|
O
|
B:HOH547
|
4.8
|
14.1
|
1.0
|
|
CG
|
C:ASN162
|
4.9
|
11.9
|
1.0
|
|
Chlorine binding site 4 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 4 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl402
b:16.6
occ:1.00
|
O2
|
D:GOL401
|
2.6
|
31.2
|
1.0
|
|
O
|
D:HOH508
|
2.8
|
18.1
|
1.0
|
|
OG
|
D:SER246
|
2.8
|
12.5
|
1.0
|
|
C2
|
D:GOL401
|
3.3
|
33.3
|
1.0
|
|
C
|
D:ILE247
|
3.6
|
12.1
|
1.0
|
|
CD2
|
D:HIS164
|
3.6
|
11.6
|
1.0
|
|
CB
|
D:SER246
|
3.6
|
10.8
|
1.0
|
|
C
|
D:SER246
|
3.6
|
12.0
|
1.0
|
|
N
|
D:GLN248
|
3.7
|
11.8
|
1.0
|
|
O
|
D:SER246
|
3.7
|
12.5
|
1.0
|
|
CA
|
D:ILE247
|
3.7
|
12.0
|
1.0
|
|
N
|
D:ILE247
|
3.8
|
12.7
|
1.0
|
|
CB
|
D:ASN162
|
3.8
|
9.8
|
1.0
|
|
O
|
D:ASN162
|
3.9
|
9.8
|
1.0
|
|
CB
|
D:GLN248
|
3.9
|
13.2
|
1.0
|
|
O
|
D:ILE247
|
3.9
|
13.2
|
1.0
|
|
C
|
D:ASN162
|
4.1
|
12.8
|
1.0
|
|
CA
|
D:SER246
|
4.3
|
11.6
|
1.0
|
|
C1
|
D:GOL401
|
4.3
|
29.6
|
1.0
|
|
N
|
D:HIS164
|
4.3
|
14.3
|
1.0
|
|
N
|
D:TYR163
|
4.4
|
13.8
|
1.0
|
|
C3
|
D:GOL401
|
4.4
|
35.2
|
1.0
|
|
CA
|
D:GLN248
|
4.4
|
11.9
|
1.0
|
|
CG
|
D:HIS164
|
4.4
|
12.8
|
1.0
|
|
CA
|
D:TYR163
|
4.5
|
13.8
|
1.0
|
|
CA
|
D:ASN162
|
4.6
|
11.5
|
1.0
|
|
NE2
|
D:HIS164
|
4.6
|
9.0
|
1.0
|
|
CB
|
D:HIS164
|
4.6
|
14.3
|
1.0
|
|
O
|
D:HOH601
|
4.7
|
13.8
|
1.0
|
|
C
|
D:TYR163
|
4.8
|
15.4
|
1.0
|
|
O
|
C:HOH562
|
4.9
|
13.9
|
1.0
|
|
CG
|
D:ASN162
|
4.9
|
9.1
|
1.0
|
|
Chlorine binding site 5 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 5 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl403
b:19.3
occ:1.00
|
O
|
E:HOH603
|
2.8
|
15.5
|
1.0
|
|
OG
|
E:SER246
|
2.9
|
12.8
|
1.0
|
|
O2
|
E:GOL402
|
3.3
|
32.5
|
1.0
|
|
CD2
|
E:HIS164
|
3.4
|
12.6
|
1.0
|
|
C
|
E:SER246
|
3.6
|
11.6
|
1.0
|
|
C
|
E:ILE247
|
3.6
|
11.1
|
1.0
|
|
O
|
E:SER246
|
3.6
|
11.5
|
1.0
|
|
N
|
E:ILE247
|
3.6
|
9.6
|
1.0
|
|
CA
|
E:ILE247
|
3.6
|
10.2
|
1.0
|
|
C2
|
E:GOL402
|
3.7
|
35.0
|
1.0
|
|
CB
|
E:ASN162
|
3.7
|
10.1
|
1.0
|
|
O
|
E:ASN162
|
3.8
|
12.4
|
1.0
|
|
N
|
E:GLN248
|
3.8
|
11.2
|
1.0
|
|
CB
|
E:SER246
|
3.8
|
11.9
|
1.0
|
|
C
|
E:ASN162
|
3.9
|
12.1
|
1.0
|
|
O
|
E:ILE247
|
4.0
|
11.4
|
1.0
|
|
N
|
E:HIS164
|
4.1
|
15.1
|
1.0
|
|
N
|
E:TYR163
|
4.1
|
11.3
|
1.0
|
|
CA
|
E:TYR163
|
4.2
|
14.2
|
1.0
|
|
CB
|
E:GLN248
|
4.2
|
11.8
|
1.0
|
|
C1
|
E:GOL402
|
4.3
|
33.7
|
1.0
|
|
CG
|
E:HIS164
|
4.3
|
15.9
|
1.0
|
|
CA
|
E:SER246
|
4.3
|
11.2
|
1.0
|
|
NE2
|
E:HIS164
|
4.4
|
12.9
|
1.0
|
|
C
|
E:TYR163
|
4.5
|
15.1
|
1.0
|
|
CA
|
E:ASN162
|
4.5
|
12.2
|
1.0
|
|
CB
|
E:HIS164
|
4.5
|
16.9
|
1.0
|
|
CA
|
E:GLN248
|
4.7
|
11.4
|
1.0
|
|
O
|
E:HOH666
|
4.7
|
28.0
|
1.0
|
|
O
|
E:HOH591
|
4.9
|
17.3
|
1.0
|
|
CG
|
E:ASN162
|
4.9
|
13.5
|
1.0
|
|
CA
|
E:HIS164
|
4.9
|
15.6
|
1.0
|
|
C3
|
E:GOL402
|
5.0
|
37.4
|
1.0
|
|
Chlorine binding site 6 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 6 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl402
b:25.2
occ:1.00
|
O
|
F:HOH517
|
3.1
|
12.3
|
1.0
|
|
OG
|
F:SER246
|
3.2
|
15.2
|
1.0
|
|
C1
|
F:GOL401
|
3.3
|
32.0
|
1.0
|
|
CD2
|
F:HIS164
|
3.4
|
17.5
|
1.0
|
|
C
|
F:ILE247
|
3.5
|
12.5
|
1.0
|
|
O
|
F:SER246
|
3.5
|
12.2
|
1.0
|
|
O1
|
F:GOL401
|
3.6
|
37.5
|
1.0
|
|
C
|
F:SER246
|
3.6
|
11.7
|
1.0
|
|
CA
|
F:ILE247
|
3.7
|
11.5
|
1.0
|
|
C2
|
F:GOL401
|
3.7
|
35.4
|
1.0
|
|
O
|
F:ASN162
|
3.7
|
13.8
|
1.0
|
|
CB
|
F:ASN162
|
3.7
|
14.6
|
1.0
|
|
N
|
F:ILE247
|
3.7
|
11.5
|
1.0
|
|
N
|
F:GLN248
|
3.7
|
12.9
|
1.0
|
|
C
|
F:ASN162
|
3.9
|
14.4
|
1.0
|
|
O
|
F:ILE247
|
3.9
|
14.3
|
1.0
|
|
CB
|
F:SER246
|
3.9
|
10.9
|
1.0
|
|
CB
|
F:GLN248
|
4.0
|
13.3
|
1.0
|
|
N
|
F:HIS164
|
4.2
|
15.5
|
1.0
|
|
N
|
F:TYR163
|
4.2
|
13.5
|
1.0
|
|
C3
|
F:GOL401
|
4.3
|
33.2
|
1.0
|
|
CG
|
F:HIS164
|
4.4
|
19.2
|
1.0
|
|
CA
|
F:TYR163
|
4.4
|
12.9
|
1.0
|
|
CA
|
F:SER246
|
4.4
|
12.1
|
1.0
|
|
NE2
|
F:HIS164
|
4.4
|
16.2
|
1.0
|
|
CA
|
F:ASN162
|
4.4
|
15.6
|
1.0
|
|
CA
|
F:GLN248
|
4.5
|
13.3
|
1.0
|
|
CB
|
F:HIS164
|
4.6
|
16.6
|
1.0
|
|
C
|
F:TYR163
|
4.6
|
15.6
|
1.0
|
|
O
|
F:HOH609
|
4.7
|
21.4
|
1.0
|
|
O2
|
F:GOL401
|
4.9
|
38.0
|
1.0
|
|
CG
|
F:ASN162
|
4.9
|
18.7
|
1.0
|
|
Chlorine binding site 7 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 7 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl402
b:20.6
occ:1.00
|
O
|
G:HOH519
|
2.8
|
14.1
|
1.0
|
|
OG
|
G:SER246
|
3.0
|
14.2
|
1.0
|
|
O2
|
G:GOL401
|
3.3
|
39.1
|
1.0
|
|
C2
|
G:GOL401
|
3.4
|
35.7
|
1.0
|
|
CD2
|
G:HIS164
|
3.5
|
17.1
|
1.0
|
|
O
|
G:SER246
|
3.5
|
12.8
|
1.0
|
|
C
|
G:ILE247
|
3.6
|
13.4
|
1.0
|
|
C
|
G:SER246
|
3.6
|
13.0
|
1.0
|
|
N
|
G:GLN248
|
3.6
|
13.5
|
1.0
|
|
CB
|
G:ASN162
|
3.7
|
14.2
|
1.0
|
|
CA
|
G:ILE247
|
3.8
|
13.1
|
1.0
|
|
CB
|
G:SER246
|
3.8
|
12.6
|
1.0
|
|
N
|
G:ILE247
|
3.8
|
13.5
|
1.0
|
|
O
|
G:ASN162
|
3.9
|
16.8
|
1.0
|
|
CB
|
G:GLN248
|
3.9
|
13.1
|
1.0
|
|
C
|
G:ASN162
|
3.9
|
16.1
|
1.0
|
|
O
|
G:ILE247
|
4.1
|
13.9
|
1.0
|
|
C1
|
G:GOL401
|
4.1
|
32.7
|
1.0
|
|
N
|
G:TYR163
|
4.2
|
14.7
|
1.0
|
|
CA
|
G:TYR163
|
4.3
|
15.1
|
1.0
|
|
CA
|
G:SER246
|
4.4
|
13.5
|
1.0
|
|
N
|
G:HIS164
|
4.4
|
13.9
|
1.0
|
|
CA
|
G:GLN248
|
4.4
|
14.0
|
1.0
|
|
CG
|
G:HIS164
|
4.4
|
17.2
|
1.0
|
|
NE2
|
G:HIS164
|
4.5
|
19.2
|
1.0
|
|
CA
|
G:ASN162
|
4.5
|
16.1
|
1.0
|
|
C3
|
G:GOL401
|
4.5
|
37.6
|
1.0
|
|
CB
|
G:HIS164
|
4.7
|
14.3
|
1.0
|
|
C
|
G:TYR163
|
4.7
|
15.1
|
1.0
|
|
O
|
F:HOH540
|
4.8
|
13.7
|
1.0
|
|
CG
|
G:ASN162
|
4.9
|
15.9
|
1.0
|
|
O
|
G:HOH540
|
4.9
|
38.6
|
1.0
|
|
Chlorine binding site 8 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 8 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl402
b:21.8
occ:1.00
|
OG
|
H:SER246
|
2.9
|
12.6
|
1.0
|
|
O
|
H:HOH503
|
2.9
|
16.7
|
1.0
|
|
O2
|
H:GOL401
|
3.0
|
28.6
|
1.0
|
|
C
|
H:ILE247
|
3.5
|
14.2
|
1.0
|
|
C2
|
H:GOL401
|
3.5
|
30.1
|
1.0
|
|
O
|
H:SER246
|
3.6
|
13.4
|
1.0
|
|
N
|
H:GLN248
|
3.6
|
14.3
|
1.0
|
|
CD2
|
H:HIS164
|
3.6
|
8.1
|
1.0
|
|
C
|
H:SER246
|
3.7
|
13.3
|
1.0
|
|
CA
|
H:ILE247
|
3.7
|
12.4
|
1.0
|
|
CB
|
H:ASN162
|
3.7
|
12.9
|
1.0
|
|
CB
|
H:SER246
|
3.8
|
11.6
|
1.0
|
|
O
|
H:ILE247
|
3.8
|
15.2
|
1.0
|
|
O
|
H:ASN162
|
3.8
|
16.1
|
1.0
|
|
N
|
H:ILE247
|
3.8
|
12.8
|
1.0
|
|
CB
|
H:GLN248
|
3.8
|
13.8
|
1.0
|
|
C
|
H:ASN162
|
3.9
|
15.7
|
1.0
|
|
N
|
H:HIS164
|
4.2
|
16.9
|
1.0
|
|
N
|
H:TYR163
|
4.2
|
15.3
|
1.0
|
|
CA
|
H:TYR163
|
4.3
|
16.0
|
1.0
|
|
C1
|
H:GOL401
|
4.4
|
27.4
|
1.0
|
|
CA
|
H:GLN248
|
4.4
|
14.5
|
1.0
|
|
CA
|
H:SER246
|
4.4
|
13.8
|
1.0
|
|
CA
|
H:ASN162
|
4.5
|
14.6
|
1.0
|
|
CG
|
H:HIS164
|
4.5
|
14.9
|
1.0
|
|
C
|
H:TYR163
|
4.6
|
17.2
|
1.0
|
|
CB
|
H:HIS164
|
4.7
|
16.8
|
1.0
|
|
C3
|
H:GOL401
|
4.7
|
35.7
|
1.0
|
|
NE2
|
H:HIS164
|
4.7
|
11.8
|
1.0
|
|
O
|
G:HOH531
|
4.9
|
14.4
|
1.0
|
|
CG
|
H:ASN162
|
4.9
|
15.2
|
1.0
|
|
O
|
H:HOH526
|
5.0
|
15.6
|
1.0
|
|
Chlorine binding site 9 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 9 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Cl402
b:24.1
occ:1.00
|
O
|
I:HOH536
|
2.8
|
18.9
|
1.0
|
|
O2
|
I:GOL401
|
2.9
|
33.4
|
1.0
|
|
OG
|
I:SER246
|
2.9
|
14.7
|
1.0
|
|
C
|
I:ILE247
|
3.5
|
13.2
|
1.0
|
|
O
|
I:SER246
|
3.5
|
14.2
|
1.0
|
|
C
|
I:SER246
|
3.5
|
12.9
|
1.0
|
|
CD2
|
I:HIS164
|
3.7
|
20.3
|
1.0
|
|
CA
|
I:ILE247
|
3.7
|
12.6
|
1.0
|
|
N
|
I:ILE247
|
3.7
|
12.7
|
1.0
|
|
N
|
I:GLN248
|
3.7
|
13.7
|
1.0
|
|
CB
|
I:ASN162
|
3.7
|
11.0
|
1.0
|
|
O
|
I:ASN162
|
3.7
|
15.1
|
1.0
|
|
CB
|
I:SER246
|
3.8
|
10.8
|
1.0
|
|
C1
|
I:GOL401
|
3.8
|
31.1
|
1.0
|
|
C2
|
I:GOL401
|
3.8
|
31.9
|
1.0
|
|
O
|
I:ILE247
|
3.9
|
13.6
|
1.0
|
|
C
|
I:ASN162
|
3.9
|
15.7
|
1.0
|
|
CB
|
I:GLN248
|
3.9
|
14.4
|
1.0
|
|
N
|
I:HIS164
|
4.2
|
17.4
|
1.0
|
|
N
|
I:TYR163
|
4.2
|
16.6
|
1.0
|
|
CA
|
I:SER246
|
4.3
|
13.3
|
1.0
|
|
C3
|
I:GOL401
|
4.3
|
34.7
|
1.0
|
|
CA
|
I:TYR163
|
4.4
|
16.6
|
1.0
|
|
CG
|
I:HIS164
|
4.4
|
16.9
|
1.0
|
|
CA
|
I:GLN248
|
4.5
|
14.4
|
1.0
|
|
CA
|
I:ASN162
|
4.5
|
14.3
|
1.0
|
|
CB
|
I:HIS164
|
4.5
|
16.9
|
1.0
|
|
C
|
I:TYR163
|
4.7
|
18.2
|
1.0
|
|
NE2
|
I:HIS164
|
4.7
|
16.6
|
1.0
|
|
O
|
I:HOH560
|
4.8
|
26.9
|
1.0
|
|
O
|
H:HOH573
|
4.9
|
27.0
|
1.0
|
|
CG
|
I:ASN162
|
4.9
|
10.9
|
1.0
|
|
Chlorine binding site 10 out
of 21 in 4fmi
Go back to
Chlorine Binding Sites List in 4fmi
Chlorine binding site 10 out
of 21 in the Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Merkel Cell Polyomavirus VP1 in Complex with 3'-Sialyllactosamine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Cl402
b:24.8
occ:1.00
|
OG
|
J:SER246
|
2.8
|
13.9
|
1.0
|
|
O2
|
J:GOL401
|
2.8
|
37.2
|
1.0
|
|
O
|
J:HOH533
|
3.0
|
19.7
|
1.0
|
|
O
|
J:SER246
|
3.4
|
13.4
|
1.0
|
|
C
|
J:SER246
|
3.5
|
12.6
|
1.0
|
|
C
|
J:ILE247
|
3.5
|
12.7
|
1.0
|
|
CA
|
J:ILE247
|
3.6
|
11.4
|
1.0
|
|
CD2
|
J:HIS164
|
3.6
|
20.8
|
1.0
|
|
N
|
J:ILE247
|
3.6
|
11.5
|
1.0
|
|
CB
|
J:SER246
|
3.8
|
12.8
|
1.0
|
|
N
|
J:GLN248
|
3.8
|
13.2
|
1.0
|
|
O
|
J:ILE247
|
3.8
|
13.7
|
1.0
|
|
C2
|
J:GOL401
|
3.9
|
34.4
|
1.0
|
|
O
|
J:ASN162
|
3.9
|
13.6
|
1.0
|
|
CB
|
J:ASN162
|
3.9
|
12.2
|
1.0
|
|
C
|
J:ASN162
|
4.0
|
14.6
|
1.0
|
|
CB
|
J:GLN248
|
4.0
|
14.6
|
1.0
|
|
C1
|
J:GOL401
|
4.1
|
36.1
|
1.0
|
|
N
|
J:HIS164
|
4.1
|
17.0
|
1.0
|
|
CA
|
J:SER246
|
4.2
|
12.5
|
1.0
|
|
N
|
J:TYR163
|
4.3
|
16.2
|
1.0
|
|
C3
|
J:GOL401
|
4.3
|
37.5
|
1.0
|
|
CA
|
J:TYR163
|
4.3
|
16.4
|
1.0
|
|
CG
|
J:HIS164
|
4.4
|
21.6
|
1.0
|
|
CA
|
J:GLN248
|
4.5
|
14.1
|
1.0
|
|
CB
|
J:HIS164
|
4.5
|
19.3
|
1.0
|
|
C
|
J:TYR163
|
4.6
|
16.5
|
1.0
|
|
NE2
|
J:HIS164
|
4.6
|
21.9
|
1.0
|
|
CA
|
J:ASN162
|
4.6
|
14.2
|
1.0
|
|
O
|
I:HOH522
|
4.8
|
16.5
|
1.0
|
|
CA
|
J:HIS164
|
5.0
|
19.3
|
1.0
|
|
O
|
J:HOH574
|
5.0
|
21.0
|
1.0
|
|
Reference:
U.Neu,
H.Hengel,
B.S.Blaum,
R.M.Schowalter,
D.Macejak,
M.Gilbert,
W.W.Wakarchuk,
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ISSN: ISSN 1553-7366
PubMed: 22910713
DOI: 10.1371/JOURNAL.PPAT.1002738
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