Iodine in PDB 6wxm: X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Protein crystallography data
The structure of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36, PDB code: 6wxm
was solved by
A.G.Kreutzer,
J.S.Nowick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
36.28 /
2.30
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
90.194,
122.127,
58.327,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.1 /
21.9
|
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Iodine atom in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
(pdb code 6wxm). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the
X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36, PDB code: 6wxm:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 1 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:I6
b:34.2
occ:1.00
|
I
|
F:PHI6
|
0.0
|
34.2
|
1.0
|
CZ
|
F:PHI6
|
2.1
|
32.2
|
1.0
|
CE1
|
F:PHI6
|
3.0
|
34.7
|
1.0
|
HE1
|
F:PHI6
|
3.0
|
41.7
|
1.0
|
CE2
|
F:PHI6
|
3.1
|
28.8
|
1.0
|
HE2
|
F:PHI6
|
3.2
|
34.6
|
1.0
|
HG2
|
C:MET22
|
3.3
|
43.5
|
1.0
|
SD
|
C:MET22
|
3.4
|
33.9
|
1.0
|
HD13
|
C:LEU4
|
3.5
|
42.1
|
1.0
|
HD12
|
G:ILE19
|
3.6
|
33.5
|
1.0
|
HG11
|
E:VAL1
|
3.7
|
54.1
|
1.0
|
HD12
|
C:LEU4
|
3.7
|
42.1
|
1.0
|
CG
|
C:MET22
|
3.7
|
36.2
|
1.0
|
HB
|
G:ILE19
|
3.9
|
32.8
|
1.0
|
HG3
|
C:MET22
|
3.9
|
43.5
|
1.0
|
HD21
|
F:LEU4
|
3.9
|
51.1
|
1.0
|
CD1
|
C:LEU4
|
4.0
|
35.0
|
1.0
|
HG21
|
G:ILE19
|
4.0
|
30.9
|
1.0
|
HE2
|
C:MET22
|
4.1
|
44.0
|
1.0
|
HD13
|
G:ILE19
|
4.2
|
33.5
|
1.0
|
HD11
|
C:LEU4
|
4.2
|
42.1
|
1.0
|
CD1
|
F:PHI6
|
4.3
|
32.8
|
1.0
|
CD1
|
G:ILE19
|
4.3
|
27.9
|
1.0
|
CE
|
C:MET22
|
4.4
|
36.6
|
1.0
|
HD23
|
F:LEU4
|
4.4
|
51.1
|
1.0
|
O
|
E:HOH207
|
4.4
|
62.5
|
1.0
|
CD2
|
F:PHI6
|
4.4
|
28.7
|
1.0
|
HN1
|
F:SAR20
|
4.4
|
31.6
|
1.0
|
CD2
|
F:LEU4
|
4.5
|
42.5
|
1.0
|
HD22
|
F:LEU4
|
4.6
|
51.1
|
1.0
|
CG1
|
E:VAL1
|
4.6
|
45.0
|
1.0
|
CB
|
G:ILE19
|
4.6
|
27.3
|
1.0
|
HE1
|
C:MET22
|
4.7
|
44.0
|
1.0
|
CG2
|
G:ILE19
|
4.7
|
25.7
|
1.0
|
HN2
|
G:SAR20
|
4.7
|
33.0
|
1.0
|
HG12
|
E:VAL1
|
4.8
|
54.1
|
1.0
|
HG21
|
E:VAL1
|
4.9
|
50.0
|
1.0
|
CG
|
F:PHI6
|
4.9
|
29.9
|
1.0
|
HG22
|
G:ILE19
|
4.9
|
30.9
|
1.0
|
HG13
|
E:VAL1
|
5.0
|
54.1
|
1.0
|
HB2
|
C:LEU4
|
5.0
|
36.0
|
1.0
|
|
Iodine binding site 2 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 2 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:I6
b:36.7
occ:1.00
|
I
|
H:PHI6
|
0.0
|
36.7
|
1.0
|
CZ
|
H:PHI6
|
2.1
|
35.6
|
1.0
|
CE1
|
H:PHI6
|
3.0
|
33.1
|
1.0
|
HE1
|
H:PHI6
|
3.1
|
39.5
|
1.0
|
CE2
|
H:PHI6
|
3.1
|
33.5
|
1.0
|
HE2
|
H:PHI6
|
3.2
|
40.2
|
1.0
|
HD21
|
H:LEU4
|
3.9
|
64.3
|
1.0
|
CD1
|
H:PHI6
|
4.3
|
32.5
|
1.0
|
CD2
|
H:PHI6
|
4.4
|
33.7
|
1.0
|
HN1
|
H:SAR20
|
4.5
|
62.9
|
1.0
|
HD23
|
H:LEU4
|
4.5
|
64.3
|
1.0
|
CD2
|
H:LEU4
|
4.6
|
53.5
|
1.0
|
CG
|
H:PHI6
|
4.9
|
36.0
|
1.0
|
|
Iodine binding site 3 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 3 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I6
b:41.0
occ:1.00
|
I
|
B:PHI6
|
0.0
|
41.0
|
1.0
|
CZ
|
B:PHI6
|
2.1
|
33.1
|
1.0
|
HD11
|
C:ILE19
|
2.8
|
59.1
|
1.0
|
HG12
|
C:ILE19
|
2.9
|
55.4
|
1.0
|
CE1
|
B:PHI6
|
3.0
|
32.8
|
1.0
|
HE1
|
B:PHI6
|
3.1
|
39.4
|
1.0
|
CE2
|
B:PHI6
|
3.1
|
25.0
|
1.0
|
HE2
|
B:PHI6
|
3.2
|
29.9
|
1.0
|
H12
|
H:HEZ101
|
3.3
|
78.4
|
1.0
|
CG1
|
C:ILE19
|
3.5
|
46.1
|
1.0
|
CD1
|
C:ILE19
|
3.5
|
49.2
|
1.0
|
HB1
|
C:ALA17
|
3.6
|
36.2
|
1.0
|
HG13
|
C:ILE19
|
3.7
|
55.4
|
1.0
|
HG11
|
A:VAL1
|
3.7
|
50.0
|
1.0
|
HD21
|
B:LEU4
|
3.9
|
46.7
|
1.0
|
HD12
|
C:ILE19
|
3.9
|
59.1
|
1.0
|
HD11
|
B:LEU4
|
4.0
|
40.0
|
1.0
|
C1
|
H:HEZ101
|
4.2
|
65.3
|
1.0
|
HN3
|
B:SAR20
|
4.2
|
34.2
|
1.0
|
H11
|
H:HEZ101
|
4.2
|
78.4
|
1.0
|
HD13
|
C:ILE19
|
4.3
|
59.1
|
1.0
|
CD1
|
B:PHI6
|
4.3
|
28.9
|
1.0
|
O
|
C:CYS18
|
4.4
|
28.4
|
1.0
|
CD2
|
B:PHI6
|
4.4
|
24.1
|
1.0
|
O
|
C:HOH208
|
4.4
|
52.0
|
1.0
|
HG13
|
A:VAL1
|
4.5
|
50.0
|
1.0
|
CG1
|
A:VAL1
|
4.5
|
41.7
|
1.0
|
CB
|
C:ALA17
|
4.6
|
30.2
|
1.0
|
O1
|
H:HEZ101
|
4.7
|
65.4
|
1.0
|
HA
|
C:ILE19
|
4.7
|
40.5
|
1.0
|
H
|
C:CYS18
|
4.8
|
36.1
|
1.0
|
CD2
|
B:LEU4
|
4.8
|
39.0
|
1.0
|
HD21
|
F:LEU21
|
4.8
|
32.7
|
1.0
|
HD22
|
B:LEU4
|
4.8
|
46.7
|
1.0
|
C
|
C:CYS18
|
4.8
|
29.2
|
1.0
|
H32
|
H:HEZ101
|
4.8
|
80.8
|
1.0
|
HD12
|
F:ILE19
|
4.8
|
60.2
|
1.0
|
CD1
|
B:LEU4
|
4.9
|
33.6
|
1.0
|
HG21
|
A:VAL1
|
4.9
|
47.4
|
1.0
|
HD13
|
B:LEU4
|
4.9
|
40.0
|
1.0
|
CG
|
B:PHI6
|
4.9
|
25.7
|
1.0
|
CB
|
C:ILE19
|
4.9
|
40.6
|
1.0
|
N
|
C:CYS18
|
4.9
|
30.0
|
1.0
|
HB3
|
C:ALA17
|
4.9
|
36.2
|
1.0
|
HA2
|
B:SAR20
|
4.9
|
30.1
|
1.0
|
HG12
|
A:VAL1
|
5.0
|
50.0
|
1.0
|
|
Iodine binding site 4 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 4 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:I6
b:37.4
occ:1.00
|
I
|
I:PHI6
|
0.0
|
37.4
|
1.0
|
CZ
|
I:PHI6
|
2.1
|
30.9
|
1.0
|
CE1
|
I:PHI6
|
3.0
|
29.7
|
1.0
|
HE1
|
I:PHI6
|
3.0
|
35.6
|
1.0
|
CE2
|
I:PHI6
|
3.1
|
27.9
|
1.0
|
HG21
|
B:VAL5
|
3.2
|
45.5
|
1.0
|
HE2
|
I:PHI6
|
3.2
|
33.6
|
1.0
|
HD21
|
I:LEU4
|
3.2
|
66.9
|
1.0
|
HG11
|
B:VAL5
|
3.2
|
36.2
|
1.0
|
HB2
|
A:PHI6
|
3.3
|
32.3
|
1.0
|
HG22
|
B:VAL5
|
3.5
|
45.5
|
1.0
|
HB3
|
A:PHI6
|
3.5
|
32.3
|
1.0
|
HG13
|
B:VAL5
|
3.5
|
36.2
|
1.0
|
HG
|
I:LEU4
|
3.7
|
62.3
|
1.0
|
CG2
|
B:VAL5
|
3.8
|
37.9
|
1.0
|
CB
|
A:PHI6
|
3.8
|
26.9
|
1.0
|
H51
|
A:HEZ101
|
3.8
|
65.5
|
1.0
|
CG1
|
B:VAL5
|
3.8
|
30.1
|
1.0
|
H52
|
A:HEZ101
|
3.8
|
65.5
|
1.0
|
HD23
|
I:LEU4
|
3.8
|
66.9
|
1.0
|
H41
|
A:HEZ101
|
3.8
|
64.5
|
1.0
|
CD2
|
I:LEU4
|
3.9
|
55.7
|
1.0
|
HD1
|
A:PHI6
|
3.9
|
35.3
|
1.0
|
HA2
|
I:SAR20
|
4.0
|
41.7
|
1.0
|
SG
|
A:CYS8
|
4.0
|
33.8
|
1.0
|
CG
|
A:PHI6
|
4.2
|
27.6
|
1.0
|
C5
|
A:HEZ101
|
4.2
|
54.6
|
1.0
|
HD11
|
I:LEU4
|
4.2
|
63.0
|
1.0
|
CD1
|
A:PHI6
|
4.2
|
29.4
|
1.0
|
CG
|
I:LEU4
|
4.3
|
51.8
|
1.0
|
CD1
|
I:PHI6
|
4.3
|
27.9
|
1.0
|
CD2
|
I:PHI6
|
4.4
|
26.0
|
1.0
|
SG
|
A:CYS18
|
4.4
|
33.0
|
1.0
|
CB
|
B:VAL5
|
4.4
|
33.2
|
1.0
|
C4
|
A:HEZ101
|
4.5
|
53.7
|
1.0
|
HG23
|
B:VAL5
|
4.6
|
45.5
|
1.0
|
HG12
|
B:VAL5
|
4.6
|
36.2
|
1.0
|
HD22
|
I:LEU4
|
4.7
|
66.9
|
1.0
|
CD1
|
I:LEU4
|
4.8
|
52.5
|
1.0
|
O
|
B:HOH101
|
4.8
|
21.2
|
1.0
|
HN2
|
I:SAR20
|
4.8
|
47.6
|
1.0
|
CG
|
I:PHI6
|
4.8
|
27.4
|
1.0
|
CA
|
I:SAR20
|
4.9
|
34.7
|
1.0
|
HN1
|
I:SAR20
|
4.9
|
47.6
|
1.0
|
HB3
|
A:CYS18
|
4.9
|
39.3
|
1.0
|
HB2
|
A:CYS18
|
4.9
|
39.3
|
1.0
|
HA3
|
I:SAR20
|
5.0
|
41.7
|
1.0
|
|
Iodine binding site 5 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 5 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I6
b:42.5
occ:1.00
|
I
|
E:PHI6
|
0.0
|
42.5
|
1.0
|
CZ
|
E:PHI6
|
2.1
|
39.7
|
1.0
|
CE1
|
E:PHI6
|
3.1
|
39.3
|
1.0
|
HE1
|
E:PHI6
|
3.1
|
47.2
|
1.0
|
CE2
|
E:PHI6
|
3.1
|
37.1
|
1.0
|
HE2
|
E:PHI6
|
3.2
|
44.6
|
1.0
|
HN2
|
E:SAR20
|
3.5
|
46.8
|
1.0
|
HB2
|
K:PHI6
|
3.5
|
66.4
|
1.0
|
HB3
|
K:PHI6
|
3.7
|
66.4
|
1.0
|
CB
|
K:PHI6
|
4.0
|
55.3
|
1.0
|
HD21
|
E:LEU4
|
4.0
|
62.8
|
1.0
|
SG
|
K:CYS8
|
4.0
|
51.5
|
1.0
|
CD1
|
E:PHI6
|
4.3
|
35.9
|
1.0
|
CG
|
K:PHI6
|
4.3
|
52.6
|
1.0
|
CD2
|
E:PHI6
|
4.4
|
34.3
|
1.0
|
SG
|
K:CYS18
|
4.4
|
46.0
|
1.0
|
CN
|
E:SAR20
|
4.5
|
38.9
|
1.0
|
HD1
|
K:PHI6
|
4.5
|
59.4
|
1.0
|
CD1
|
K:PHI6
|
4.6
|
49.5
|
1.0
|
HA2
|
E:SAR20
|
4.7
|
47.9
|
1.0
|
HD23
|
E:LEU4
|
4.8
|
62.8
|
1.0
|
CD2
|
E:LEU4
|
4.8
|
52.3
|
1.0
|
HN1
|
E:SAR20
|
4.9
|
46.8
|
1.0
|
CG
|
E:PHI6
|
4.9
|
33.5
|
1.0
|
HB3
|
K:CYS18
|
5.0
|
64.8
|
1.0
|
HN3
|
E:SAR20
|
5.0
|
46.8
|
1.0
|
|
Iodine binding site 6 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 6 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I6
b:28.3
occ:1.00
|
I
|
A:PHI6
|
0.0
|
28.3
|
1.0
|
CZ
|
A:PHI6
|
2.1
|
29.3
|
1.0
|
CE1
|
A:PHI6
|
3.0
|
29.4
|
1.0
|
HE1
|
A:PHI6
|
3.1
|
35.3
|
1.0
|
CE2
|
A:PHI6
|
3.1
|
29.7
|
1.0
|
HE2
|
A:PHI6
|
3.2
|
35.7
|
1.0
|
HB2
|
I:PHI6
|
3.6
|
32.8
|
1.0
|
HB3
|
I:PHI6
|
3.7
|
32.8
|
1.0
|
HD21
|
A:LEU4
|
3.9
|
68.8
|
1.0
|
SG
|
I:CYS8
|
3.9
|
30.6
|
1.0
|
CB
|
I:PHI6
|
4.0
|
27.3
|
1.0
|
SG
|
I:CYS18
|
4.3
|
30.3
|
1.0
|
CG
|
I:PHI6
|
4.3
|
27.4
|
1.0
|
HD23
|
A:LEU4
|
4.3
|
68.8
|
1.0
|
CD1
|
A:PHI6
|
4.3
|
29.4
|
1.0
|
CD2
|
A:PHI6
|
4.4
|
28.8
|
1.0
|
CD2
|
A:LEU4
|
4.5
|
57.3
|
1.0
|
HB3
|
I:CYS18
|
4.7
|
36.9
|
1.0
|
CD1
|
I:PHI6
|
4.7
|
27.9
|
1.0
|
HD1
|
I:PHI6
|
4.7
|
33.5
|
1.0
|
HD22
|
A:LEU4
|
4.8
|
68.8
|
1.0
|
CD2
|
I:PHI6
|
4.8
|
26.0
|
1.0
|
CG
|
A:PHI6
|
4.9
|
27.6
|
1.0
|
HD2
|
I:PHI6
|
5.0
|
31.3
|
1.0
|
HN1
|
A:SAR20
|
5.0
|
44.5
|
1.0
|
|
Iodine binding site 7 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 7 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I6
b:34.1
occ:1.00
|
I
|
C:PHI6
|
0.0
|
34.1
|
1.0
|
CZ
|
C:PHI6
|
2.1
|
25.7
|
1.0
|
CE1
|
C:PHI6
|
3.1
|
26.7
|
1.0
|
HE1
|
C:PHI6
|
3.1
|
32.1
|
1.0
|
CE2
|
C:PHI6
|
3.1
|
21.6
|
1.0
|
HE2
|
C:PHI6
|
3.2
|
25.9
|
1.0
|
HG2
|
F:MET22
|
3.2
|
30.4
|
1.0
|
HD13
|
F:LEU4
|
3.3
|
50.5
|
1.0
|
SD
|
F:MET22
|
3.4
|
30.2
|
1.0
|
HG11
|
D:VAL1
|
3.4
|
48.6
|
1.0
|
HD21
|
C:LEU4
|
3.7
|
39.3
|
1.0
|
CG
|
F:MET22
|
3.7
|
25.3
|
1.0
|
HD12
|
F:LEU4
|
3.7
|
50.5
|
1.0
|
HG3
|
F:MET22
|
3.8
|
30.4
|
1.0
|
HD12
|
B:ILE19
|
3.8
|
37.5
|
1.0
|
CD1
|
F:LEU4
|
3.9
|
42.1
|
1.0
|
HB
|
B:ILE19
|
4.0
|
34.9
|
1.0
|
HD11
|
F:LEU4
|
4.1
|
50.5
|
1.0
|
HG21
|
B:ILE19
|
4.1
|
37.7
|
1.0
|
HD23
|
C:LEU4
|
4.2
|
39.3
|
1.0
|
HD13
|
B:ILE19
|
4.2
|
37.5
|
1.0
|
CD2
|
C:LEU4
|
4.2
|
32.7
|
1.0
|
HD22
|
C:LEU4
|
4.2
|
39.3
|
1.0
|
HG21
|
D:VAL1
|
4.3
|
42.9
|
1.0
|
CD1
|
C:PHI6
|
4.3
|
23.4
|
1.0
|
CG1
|
D:VAL1
|
4.4
|
40.5
|
1.0
|
HN1
|
C:SAR20
|
4.4
|
33.9
|
1.0
|
CD2
|
C:PHI6
|
4.4
|
19.6
|
1.0
|
CD1
|
B:ILE19
|
4.5
|
31.2
|
1.0
|
HN2
|
B:SAR20
|
4.6
|
34.2
|
1.0
|
O
|
D:HOH211
|
4.7
|
46.1
|
1.0
|
HG13
|
D:VAL1
|
4.7
|
48.6
|
1.0
|
HE2
|
F:MET22
|
4.7
|
41.4
|
1.0
|
CB
|
B:ILE19
|
4.7
|
29.0
|
1.0
|
CG2
|
B:ILE19
|
4.7
|
31.3
|
1.0
|
CE
|
F:MET22
|
4.7
|
34.4
|
1.0
|
HG22
|
B:ILE19
|
4.8
|
37.7
|
1.0
|
HG12
|
D:VAL1
|
4.8
|
48.6
|
1.0
|
CG
|
C:PHI6
|
4.9
|
20.2
|
1.0
|
HB2
|
F:LEU4
|
5.0
|
44.3
|
1.0
|
HN2
|
C:SAR20
|
5.0
|
33.9
|
1.0
|
|
Iodine binding site 8 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 8 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I6
b:27.9
occ:1.00
|
I
|
D:PHI6
|
0.0
|
27.9
|
1.0
|
CZ
|
D:PHI6
|
2.1
|
33.6
|
1.0
|
CE1
|
D:PHI6
|
3.0
|
37.5
|
1.0
|
CE2
|
D:PHI6
|
3.1
|
29.5
|
1.0
|
HE1
|
D:PHI6
|
3.1
|
45.1
|
1.0
|
HE2
|
D:PHI6
|
3.1
|
35.4
|
1.0
|
HB2
|
J:PHI6
|
3.6
|
33.0
|
1.0
|
HB3
|
J:PHI6
|
3.7
|
33.0
|
1.0
|
SG
|
J:CYS8
|
3.9
|
27.1
|
1.0
|
CB
|
J:PHI6
|
4.0
|
27.7
|
1.0
|
HN2
|
D:SAR20
|
4.0
|
49.2
|
1.0
|
HD21
|
D:LEU4
|
4.2
|
71.7
|
1.0
|
CD1
|
D:PHI6
|
4.3
|
35.5
|
1.0
|
CG
|
J:PHI6
|
4.3
|
28.4
|
1.0
|
CD2
|
D:PHI6
|
4.4
|
28.8
|
1.0
|
HD1
|
J:PHI6
|
4.4
|
36.0
|
1.0
|
SG
|
J:CYS18
|
4.5
|
25.8
|
1.0
|
CD1
|
J:PHI6
|
4.5
|
30.1
|
1.0
|
HD23
|
D:LEU4
|
4.6
|
71.7
|
1.0
|
CD2
|
D:LEU4
|
4.8
|
59.7
|
1.0
|
CN
|
D:SAR20
|
4.9
|
41.0
|
1.0
|
HB3
|
J:CYS18
|
4.9
|
39.9
|
1.0
|
CG
|
D:PHI6
|
4.9
|
30.9
|
1.0
|
HA2
|
D:SAR20
|
5.0
|
51.3
|
1.0
|
|
Iodine binding site 9 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 9 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:I6
b:35.4
occ:1.00
|
I
|
J:PHI6
|
0.0
|
35.4
|
1.0
|
CZ
|
J:PHI6
|
2.1
|
31.6
|
1.0
|
CE1
|
J:PHI6
|
3.0
|
31.3
|
1.0
|
HE1
|
J:PHI6
|
3.0
|
37.5
|
1.0
|
CE2
|
J:PHI6
|
3.1
|
29.3
|
1.0
|
HE2
|
J:PHI6
|
3.2
|
35.2
|
1.0
|
HD11
|
J:LEU4
|
3.2
|
1.0
|
1.0
|
HD12
|
J:LEU4
|
3.3
|
1.0
|
1.0
|
HG11
|
C:VAL5
|
3.3
|
34.6
|
1.0
|
HG21
|
C:VAL5
|
3.3
|
39.8
|
1.0
|
HB3
|
D:PHI6
|
3.4
|
33.5
|
1.0
|
H21
|
J:HEZ102
|
3.5
|
79.1
|
1.0
|
HD13
|
J:LEU4
|
3.5
|
1.0
|
1.0
|
HB2
|
D:PHI6
|
3.5
|
33.5
|
1.0
|
CD1
|
J:LEU4
|
3.5
|
85.0
|
1.0
|
H22
|
J:HEZ102
|
3.5
|
79.1
|
1.0
|
HG22
|
C:VAL5
|
3.8
|
39.8
|
1.0
|
CB
|
D:PHI6
|
3.8
|
27.9
|
1.0
|
HG13
|
C:VAL5
|
3.9
|
34.6
|
1.0
|
CG2
|
C:VAL5
|
4.0
|
33.1
|
1.0
|
C2
|
J:HEZ102
|
4.0
|
65.8
|
1.0
|
CG1
|
C:VAL5
|
4.0
|
28.8
|
1.0
|
SG
|
D:CYS8
|
4.0
|
32.8
|
1.0
|
CG
|
D:PHI6
|
4.2
|
30.9
|
1.0
|
CD1
|
J:PHI6
|
4.3
|
30.1
|
1.0
|
SG
|
D:CYS18
|
4.3
|
29.7
|
1.0
|
CD2
|
J:PHI6
|
4.4
|
28.0
|
1.0
|
H51
|
J:HEZ102
|
4.4
|
79.7
|
1.0
|
HG11
|
C:VAL1
|
4.5
|
48.6
|
1.0
|
H32
|
J:HEZ102
|
4.5
|
79.4
|
1.0
|
HG21
|
C:VAL1
|
4.5
|
40.5
|
1.0
|
HA2
|
J:SAR20
|
4.6
|
78.1
|
1.0
|
CB
|
C:VAL5
|
4.7
|
31.2
|
1.0
|
CD1
|
D:PHI6
|
4.7
|
35.5
|
1.0
|
HB3
|
D:CYS18
|
4.7
|
35.8
|
1.0
|
HB2
|
D:CYS18
|
4.7
|
35.8
|
1.0
|
CD2
|
D:PHI6
|
4.7
|
28.8
|
1.0
|
HD1
|
D:PHI6
|
4.7
|
42.7
|
1.0
|
HG23
|
C:VAL5
|
4.7
|
39.8
|
1.0
|
C3
|
J:HEZ102
|
4.8
|
66.2
|
1.0
|
HG12
|
C:VAL5
|
4.8
|
34.6
|
1.0
|
HD2
|
D:PHI6
|
4.8
|
34.6
|
1.0
|
CG
|
J:PHI6
|
4.8
|
28.4
|
1.0
|
CB
|
D:CYS18
|
4.9
|
29.8
|
1.0
|
HZ1
|
C:LYS3
|
4.9
|
88.1
|
1.0
|
HN1
|
J:SAR20
|
5.0
|
51.2
|
1.0
|
|
Iodine binding site 10 out
of 11 in 6wxm
Go back to
Iodine Binding Sites List in 6wxm
Iodine binding site 10 out
of 11 in the X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of X-Ray Crystallographic Structure of A Beta-Hairpin Peptide Derived From Amyloid Beta 16-36 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:I6
b:48.5
occ:1.00
|
I
|
G:PHI6
|
0.0
|
48.5
|
1.0
|
CZ
|
G:PHI6
|
2.1
|
43.4
|
1.0
|
CE1
|
G:PHI6
|
3.0
|
44.5
|
1.0
|
HE1
|
G:PHI6
|
3.1
|
53.4
|
1.0
|
CE2
|
G:PHI6
|
3.1
|
38.0
|
1.0
|
HE2
|
G:PHI6
|
3.2
|
45.6
|
1.0
|
HG22
|
F:ILE19
|
3.3
|
48.8
|
1.0
|
HD21
|
G:LEU4
|
3.3
|
44.8
|
1.0
|
H41
|
H:HEZ101
|
3.4
|
82.2
|
1.0
|
HG23
|
F:ILE19
|
3.4
|
48.8
|
1.0
|
HB1
|
F:ALA17
|
3.4
|
42.6
|
1.0
|
HG11
|
H:VAL1
|
3.5
|
58.6
|
1.0
|
H51
|
H:HEZ101
|
3.5
|
82.5
|
1.0
|
H42
|
H:HEZ101
|
3.6
|
82.2
|
1.0
|
CG2
|
F:ILE19
|
3.7
|
40.6
|
1.0
|
HG21
|
F:ILE19
|
3.8
|
48.8
|
1.0
|
C4
|
H:HEZ101
|
3.8
|
68.4
|
1.0
|
H62
|
H:HEZ101
|
4.0
|
82.6
|
1.0
|
C5
|
H:HEZ101
|
4.1
|
68.7
|
1.0
|
CD2
|
G:LEU4
|
4.2
|
37.5
|
1.0
|
CG1
|
H:VAL1
|
4.3
|
48.8
|
1.0
|
CD1
|
G:PHI6
|
4.3
|
40.2
|
1.0
|
O
|
F:HOH112
|
4.4
|
52.4
|
1.0
|
CB
|
F:ALA17
|
4.4
|
35.5
|
1.0
|
CD2
|
G:PHI6
|
4.4
|
35.6
|
1.0
|
HD22
|
G:LEU4
|
4.4
|
44.8
|
1.0
|
HG12
|
H:VAL1
|
4.5
|
58.6
|
1.0
|
HD11
|
G:LEU4
|
4.5
|
41.7
|
1.0
|
HG13
|
H:VAL1
|
4.5
|
58.6
|
1.0
|
HD23
|
G:LEU4
|
4.6
|
44.8
|
1.0
|
HN3
|
G:SAR20
|
4.6
|
33.0
|
1.0
|
C6
|
H:HEZ101
|
4.6
|
68.8
|
1.0
|
O
|
F:CYS18
|
4.7
|
33.2
|
1.0
|
HB3
|
F:ALA17
|
4.8
|
42.6
|
1.0
|
HB2
|
F:ALA17
|
4.8
|
42.6
|
1.0
|
CG
|
G:PHI6
|
4.9
|
35.5
|
1.0
|
H52
|
H:HEZ101
|
4.9
|
82.5
|
1.0
|
HD21
|
C:LEU21
|
5.0
|
40.6
|
1.0
|
HZ1
|
H:LYS3
|
5.0
|
94.9
|
1.0
|
|
Reference:
A.G.Kreutzer,
T.D.Samdin,
G.Guaglianone,
R.K.Spencer,
J.S.Nowick.
X-Ray Crystallography Reveals Parallel and Antiparallel Beta-Sheet Dimers of A Beta-Hairpin Derived From A BETA16-36THAT Assemble to Form Different Tetramers. Acs Chem Neurosci V. 11 2340 2020.
ISSN: ESSN 1948-7193
PubMed: 32584538
DOI: 10.1021/ACSCHEMNEURO.0C00290
Page generated: Mon Aug 12 00:31:25 2024
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