Iodine in PDB 4p4w: Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
Protein crystallography data
The structure of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk, PDB code: 4p4w
was solved by
R.K.Spencer,
A.Kreutzer,
J.S.Nowick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
31.53 /
1.50
|
|
Space group
|
P 31 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
58.193,
58.193,
121.279,
90.00,
90.00,
120.00
|
|
R / Rfree (%)
|
17.5 /
20.9
|
Other elements in 4p4w:
The structure of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk also contains other interesting chemical elements:
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Iodine atom in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
(pdb code 4p4w). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the
Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk, PDB code: 4p4w:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 1 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I5
b:23.9
occ:1.00
|
I
|
A:PHI5
|
0.0
|
23.9
|
1.0
|
|
CZ
|
A:PHI5
|
2.1
|
17.8
|
1.0
|
|
CE1
|
A:PHI5
|
3.0
|
22.1
|
1.0
|
|
HE1
|
A:PHI5
|
3.0
|
26.5
|
1.0
|
|
CE2
|
A:PHI5
|
3.1
|
20.0
|
1.0
|
|
HE2
|
A:PHI5
|
3.2
|
24.0
|
1.0
|
|
HG13
|
A:MVA13
|
3.5
|
22.2
|
1.0
|
|
HE2
|
D:PHI5
|
3.6
|
27.3
|
1.0
|
|
HB3
|
E:PHI5
|
3.6
|
15.9
|
0.5
|
|
CG
|
E:PHI5
|
3.7
|
13.1
|
0.5
|
|
CD2
|
E:PHI5
|
3.7
|
14.1
|
0.5
|
|
HD13
|
D:LEU3
|
3.7
|
25.4
|
1.0
|
|
HB3
|
E:PHI5
|
3.7
|
26.5
|
0.5
|
|
HG12
|
A:MVA13
|
3.8
|
22.2
|
1.0
|
|
HD2
|
E:PHI5
|
3.9
|
17.0
|
0.5
|
|
HD12
|
D:LEU3
|
4.0
|
25.4
|
1.0
|
|
CG1
|
A:MVA13
|
4.0
|
18.5
|
1.0
|
|
HB2
|
E:PHI5
|
4.0
|
15.9
|
0.5
|
|
CG
|
E:PHI5
|
4.1
|
13.2
|
0.5
|
|
CE2
|
E:PHI5
|
4.1
|
17.7
|
0.5
|
|
CB
|
E:PHI5
|
4.1
|
13.3
|
0.5
|
|
CD1
|
E:PHI5
|
4.1
|
15.3
|
0.5
|
|
CB
|
E:PHI5
|
4.1
|
22.1
|
0.5
|
|
HG11
|
A:MVA13
|
4.1
|
22.2
|
1.0
|
|
HB3
|
D:LEU3
|
4.1
|
14.8
|
1.0
|
|
HB2
|
D:LEU3
|
4.1
|
14.8
|
1.0
|
|
HB2
|
E:PHI5
|
4.1
|
26.5
|
0.5
|
|
HG11
|
E:VAL11
|
4.2
|
20.2
|
1.0
|
|
CD1
|
E:PHI5
|
4.3
|
20.7
|
0.5
|
|
CD1
|
A:PHI5
|
4.3
|
17.5
|
1.0
|
|
CD1
|
D:LEU3
|
4.3
|
21.2
|
1.0
|
|
HD1
|
E:PHI5
|
4.4
|
24.8
|
0.5
|
|
CD2
|
A:PHI5
|
4.4
|
20.7
|
1.0
|
|
HG21
|
E:VAL11
|
4.4
|
23.7
|
1.0
|
|
CE1
|
E:PHI5
|
4.4
|
19.7
|
0.5
|
|
CZ
|
E:PHI5
|
4.4
|
16.3
|
0.5
|
|
CE2
|
D:PHI5
|
4.5
|
22.7
|
1.0
|
|
CD2
|
E:PHI5
|
4.5
|
24.3
|
0.5
|
|
HD1
|
E:PHI5
|
4.5
|
18.3
|
0.5
|
|
I
|
K:PHI5
|
4.5
|
18.9
|
1.0
|
|
HG23
|
D:MVA13
|
4.5
|
21.1
|
1.0
|
|
HE2
|
E:PHI5
|
4.5
|
21.3
|
0.5
|
|
CB
|
D:LEU3
|
4.6
|
12.3
|
1.0
|
|
HG13
|
E:VAL11
|
4.6
|
20.2
|
1.0
|
|
I
|
D:PHI5
|
4.7
|
22.4
|
1.0
|
|
HD2
|
E:PHI5
|
4.8
|
29.1
|
0.5
|
|
CG1
|
E:VAL11
|
4.9
|
16.9
|
1.0
|
|
CG
|
A:PHI5
|
4.9
|
16.2
|
1.0
|
|
CE1
|
E:PHI5
|
4.9
|
16.0
|
0.5
|
|
HG13
|
D:MVA13
|
5.0
|
20.7
|
1.0
|
|
Iodine binding site 2 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 2 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I5
b:38.9
occ:1.00
|
I
|
B:PHI5
|
0.0
|
38.9
|
1.0
|
|
CZ
|
B:PHI5
|
2.1
|
19.8
|
1.0
|
|
HE1
|
B:PHI5
|
2.8
|
31.7
|
1.0
|
|
CE1
|
B:PHI5
|
2.9
|
26.4
|
1.0
|
|
CE2
|
B:PHI5
|
3.2
|
44.5
|
1.0
|
|
HE2
|
B:PHI5
|
3.4
|
53.4
|
1.0
|
|
HG13
|
B:MVA13
|
3.7
|
24.6
|
1.0
|
|
HD13
|
E:LEU3
|
3.7
|
20.3
|
1.0
|
|
HB3
|
F:PHI5
|
3.8
|
18.7
|
1.0
|
|
HE2
|
E:PHI5
|
4.0
|
29.2
|
0.5
|
|
HD12
|
E:LEU3
|
4.0
|
20.3
|
1.0
|
|
HG12
|
B:MVA13
|
4.0
|
24.6
|
1.0
|
|
HG11
|
F:VAL11
|
4.0
|
28.0
|
1.0
|
|
HB2
|
E:LEU3
|
4.1
|
16.2
|
1.0
|
|
I
|
E:PHI5
|
4.1
|
28.6
|
0.5
|
|
HB2
|
F:PHI5
|
4.1
|
18.7
|
1.0
|
|
CG
|
F:PHI5
|
4.1
|
18.6
|
1.0
|
|
HB3
|
E:LEU3
|
4.1
|
16.2
|
1.0
|
|
CD1
|
B:PHI5
|
4.2
|
19.1
|
1.0
|
|
CB
|
F:PHI5
|
4.2
|
15.6
|
1.0
|
|
CD1
|
F:PHI5
|
4.2
|
21.5
|
1.0
|
|
CG1
|
B:MVA13
|
4.2
|
20.5
|
1.0
|
|
HD1
|
F:PHI5
|
4.2
|
25.8
|
1.0
|
|
CD1
|
E:LEU3
|
4.3
|
16.9
|
1.0
|
|
HG11
|
B:MVA13
|
4.4
|
24.6
|
1.0
|
|
CD2
|
B:PHI5
|
4.5
|
36.4
|
1.0
|
|
I
|
J:PHI5
|
4.5
|
18.8
|
1.0
|
|
HG23
|
E:MVA13
|
4.5
|
16.9
|
1.0
|
|
I
|
E:PHI5
|
4.5
|
22.5
|
0.5
|
|
CB
|
E:LEU3
|
4.5
|
13.5
|
1.0
|
|
HG21
|
F:VAL11
|
4.5
|
27.5
|
1.0
|
|
CE2
|
E:PHI5
|
4.6
|
24.4
|
0.5
|
|
CD2
|
F:PHI5
|
4.6
|
41.3
|
1.0
|
|
CZ
|
E:PHI5
|
4.7
|
18.1
|
0.5
|
|
CE1
|
F:PHI5
|
4.8
|
31.8
|
1.0
|
|
HD1
|
B:PHI5
|
4.8
|
22.9
|
1.0
|
|
CG
|
B:PHI5
|
4.9
|
17.1
|
1.0
|
|
HD2
|
F:PHI5
|
4.9
|
49.5
|
1.0
|
|
CG1
|
F:VAL11
|
5.0
|
23.3
|
1.0
|
|
HE1
|
E:PHI5
|
5.0
|
23.6
|
0.5
|
|
Iodine binding site 3 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 3 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I5
b:26.2
occ:0.63
|
I
|
C:PHI5
|
0.0
|
26.2
|
0.6
|
|
HE1
|
C:PHI5
|
2.1
|
25.9
|
0.4
|
|
CZ
|
C:PHI5
|
2.1
|
20.9
|
0.6
|
|
HE2
|
F:PHI5
|
2.8
|
42.1
|
1.0
|
|
CE1
|
C:PHI5
|
3.0
|
21.6
|
0.4
|
|
CE1
|
C:PHI5
|
3.1
|
18.2
|
0.6
|
|
CE2
|
C:PHI5
|
3.1
|
28.2
|
0.6
|
|
I
|
C:PHI5
|
3.1
|
28.9
|
0.4
|
|
HE1
|
C:PHI5
|
3.1
|
21.9
|
0.6
|
|
HE2
|
C:PHI5
|
3.2
|
33.9
|
0.6
|
|
CZ
|
C:PHI5
|
3.5
|
23.0
|
0.4
|
|
HB2
|
D:PHI5
|
3.6
|
13.5
|
1.0
|
|
HB3
|
D:PHI5
|
3.7
|
13.5
|
1.0
|
|
CE2
|
F:PHI5
|
3.7
|
35.1
|
1.0
|
|
CG
|
D:PHI5
|
3.8
|
14.2
|
1.0
|
|
CB
|
D:PHI5
|
3.9
|
11.2
|
1.0
|
|
CD2
|
D:PHI5
|
4.1
|
18.1
|
1.0
|
|
CD1
|
C:PHI5
|
4.1
|
24.0
|
0.4
|
|
HB2
|
F:LEU3
|
4.2
|
17.1
|
1.0
|
|
CD1
|
D:PHI5
|
4.2
|
18.7
|
1.0
|
|
HB3
|
F:LEU3
|
4.2
|
17.1
|
1.0
|
|
HD2
|
D:PHI5
|
4.3
|
21.7
|
1.0
|
|
I
|
F:PHI5
|
4.3
|
30.7
|
1.0
|
|
HG13
|
C:MVA13
|
4.3
|
22.6
|
1.0
|
|
HD1
|
C:PHI5
|
4.3
|
28.8
|
0.4
|
|
CD1
|
C:PHI5
|
4.3
|
16.4
|
0.6
|
|
CD2
|
C:PHI5
|
4.4
|
23.8
|
0.6
|
|
CZ
|
F:PHI5
|
4.4
|
22.9
|
1.0
|
|
HD1
|
D:PHI5
|
4.4
|
22.5
|
1.0
|
|
HG12
|
C:MVA13
|
4.5
|
22.6
|
1.0
|
|
HD13
|
F:LEU3
|
4.5
|
22.3
|
1.0
|
|
HD2
|
F:PHI5
|
4.6
|
49.5
|
1.0
|
|
CD2
|
F:PHI5
|
4.6
|
41.3
|
1.0
|
|
CB
|
F:LEU3
|
4.7
|
14.2
|
1.0
|
|
HD12
|
F:LEU3
|
4.7
|
22.3
|
1.0
|
|
CE2
|
D:PHI5
|
4.7
|
22.7
|
1.0
|
|
CE1
|
D:PHI5
|
4.8
|
22.2
|
1.0
|
|
O
|
F:LEU3
|
4.8
|
12.7
|
1.0
|
|
HG23
|
F:MVA13
|
4.8
|
18.7
|
1.0
|
|
CG1
|
C:MVA13
|
4.9
|
18.8
|
1.0
|
|
CG
|
C:PHI5
|
4.9
|
14.4
|
0.6
|
|
CE2
|
C:PHI5
|
4.9
|
18.4
|
0.4
|
|
Iodine binding site 4 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 4 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I5
b:28.9
occ:0.37
|
I
|
C:PHI5
|
0.0
|
28.9
|
0.4
|
|
HE2
|
C:PHI5
|
1.8
|
33.9
|
0.6
|
|
CZ
|
C:PHI5
|
2.1
|
23.0
|
0.4
|
|
HE2
|
F:PHI5
|
2.3
|
42.1
|
1.0
|
|
CE2
|
C:PHI5
|
2.6
|
28.2
|
0.6
|
|
I
|
E:PHI5
|
2.9
|
22.5
|
0.5
|
|
CE1
|
C:PHI5
|
3.0
|
21.6
|
0.4
|
|
HE2
|
E:PHI5
|
3.1
|
21.3
|
0.5
|
|
HE1
|
C:PHI5
|
3.1
|
25.9
|
0.4
|
|
CE2
|
F:PHI5
|
3.1
|
35.1
|
1.0
|
|
CE2
|
C:PHI5
|
3.1
|
18.4
|
0.4
|
|
I
|
C:PHI5
|
3.1
|
26.2
|
0.6
|
|
CZ
|
C:PHI5
|
3.1
|
20.9
|
0.6
|
|
HE2
|
C:PHI5
|
3.2
|
22.1
|
0.4
|
|
CD2
|
C:PHI5
|
3.7
|
23.8
|
0.6
|
|
CE2
|
E:PHI5
|
3.8
|
17.7
|
0.5
|
|
HD2
|
F:PHI5
|
3.8
|
49.5
|
1.0
|
|
CZ
|
F:PHI5
|
3.8
|
22.9
|
1.0
|
|
CD2
|
F:PHI5
|
3.9
|
41.3
|
1.0
|
|
HE2
|
E:PHI5
|
3.9
|
29.2
|
0.5
|
|
HD2
|
C:PHI5
|
3.9
|
28.6
|
0.6
|
|
CZ
|
E:PHI5
|
3.9
|
16.3
|
0.5
|
|
HE2
|
D:PHI5
|
4.0
|
27.3
|
1.0
|
|
HD2
|
D:PHI5
|
4.0
|
21.7
|
1.0
|
|
CE2
|
D:PHI5
|
4.0
|
22.7
|
1.0
|
|
I
|
F:PHI5
|
4.1
|
30.7
|
1.0
|
|
CD2
|
D:PHI5
|
4.1
|
18.1
|
1.0
|
|
CD1
|
C:PHI5
|
4.3
|
24.0
|
0.4
|
|
CD2
|
C:PHI5
|
4.4
|
13.5
|
0.4
|
|
CE1
|
C:PHI5
|
4.4
|
18.2
|
0.6
|
|
CE2
|
E:PHI5
|
4.7
|
24.4
|
0.5
|
|
CG
|
D:PHI5
|
4.7
|
14.2
|
1.0
|
|
CZ
|
D:PHI5
|
4.8
|
16.9
|
1.0
|
|
CG
|
C:PHI5
|
4.8
|
14.4
|
0.6
|
|
HE2
|
B:PHI5
|
4.8
|
53.4
|
1.0
|
|
CE2
|
B:PHI5
|
4.8
|
44.5
|
1.0
|
|
HE2
|
A:PHI5
|
4.8
|
24.0
|
1.0
|
|
CG
|
C:PHI5
|
4.8
|
17.6
|
0.4
|
|
HD2
|
E:PHI5
|
4.9
|
29.1
|
0.5
|
|
CD2
|
B:PHI5
|
5.0
|
36.4
|
1.0
|
|
Iodine binding site 5 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 5 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I5
b:22.4
occ:1.00
|
I
|
D:PHI5
|
0.0
|
22.4
|
1.0
|
|
CZ
|
D:PHI5
|
2.1
|
16.9
|
1.0
|
|
CE1
|
D:PHI5
|
3.0
|
22.2
|
1.0
|
|
HE1
|
D:PHI5
|
3.0
|
26.6
|
1.0
|
|
CE2
|
D:PHI5
|
3.1
|
22.7
|
1.0
|
|
HE2
|
D:PHI5
|
3.2
|
27.3
|
1.0
|
|
HE2
|
A:PHI5
|
3.4
|
24.0
|
1.0
|
|
CD2
|
C:PHI5
|
3.5
|
13.5
|
0.4
|
|
HG13
|
D:MVA13
|
3.6
|
20.7
|
1.0
|
|
CG
|
C:PHI5
|
3.6
|
17.6
|
0.4
|
|
HD13
|
A:LEU3
|
3.6
|
23.4
|
1.0
|
|
HB3
|
C:PHI5
|
3.6
|
15.9
|
0.6
|
|
HD2
|
C:PHI5
|
3.6
|
16.2
|
0.4
|
|
HB3
|
C:PHI5
|
3.8
|
26.0
|
0.4
|
|
CE2
|
C:PHI5
|
3.9
|
18.4
|
0.4
|
|
HG12
|
D:MVA13
|
3.9
|
20.7
|
1.0
|
|
HD12
|
A:LEU3
|
3.9
|
23.4
|
1.0
|
|
HB2
|
C:PHI5
|
3.9
|
26.0
|
0.4
|
|
HB2
|
C:PHI5
|
3.9
|
15.9
|
0.6
|
|
CG
|
C:PHI5
|
3.9
|
14.4
|
0.6
|
|
HG11
|
C:VAL11
|
3.9
|
20.9
|
1.0
|
|
HB2
|
A:LEU3
|
4.0
|
15.1
|
1.0
|
|
HB3
|
A:LEU3
|
4.0
|
15.1
|
1.0
|
|
CB
|
C:PHI5
|
4.0
|
21.6
|
0.4
|
|
CB
|
C:PHI5
|
4.0
|
13.2
|
0.6
|
|
CD1
|
C:PHI5
|
4.1
|
24.0
|
0.4
|
|
CG1
|
D:MVA13
|
4.1
|
17.2
|
1.0
|
|
CD1
|
A:LEU3
|
4.2
|
19.5
|
1.0
|
|
I
|
L:PHI5
|
4.2
|
20.8
|
1.0
|
|
CD1
|
C:PHI5
|
4.3
|
16.4
|
0.6
|
|
CD2
|
C:PHI5
|
4.3
|
23.8
|
0.6
|
|
HE2
|
C:PHI5
|
4.3
|
22.1
|
0.4
|
|
HG11
|
D:MVA13
|
4.3
|
20.7
|
1.0
|
|
CD1
|
D:PHI5
|
4.3
|
18.7
|
1.0
|
|
CE2
|
A:PHI5
|
4.3
|
20.0
|
1.0
|
|
CZ
|
C:PHI5
|
4.3
|
23.0
|
0.4
|
|
CD2
|
D:PHI5
|
4.4
|
18.1
|
1.0
|
|
CB
|
A:LEU3
|
4.4
|
12.6
|
1.0
|
|
CE1
|
C:PHI5
|
4.4
|
21.6
|
0.4
|
|
HD1
|
C:PHI5
|
4.5
|
19.7
|
0.6
|
|
HD2
|
C:PHI5
|
4.5
|
28.6
|
0.6
|
|
HD1
|
C:PHI5
|
4.6
|
28.8
|
0.4
|
|
I
|
A:PHI5
|
4.7
|
23.9
|
1.0
|
|
HG21
|
C:VAL11
|
4.8
|
31.4
|
1.0
|
|
CE2
|
C:PHI5
|
4.8
|
28.2
|
0.6
|
|
CE1
|
C:PHI5
|
4.8
|
18.2
|
0.6
|
|
CG1
|
C:VAL11
|
4.8
|
17.4
|
1.0
|
|
CG
|
D:PHI5
|
4.9
|
14.2
|
1.0
|
|
HG23
|
A:MVA13
|
4.9
|
19.3
|
1.0
|
|
HD11
|
A:LEU3
|
5.0
|
23.4
|
1.0
|
|
CG
|
A:LEU3
|
5.0
|
14.5
|
1.0
|
|
CZ
|
A:PHI5
|
5.0
|
17.8
|
1.0
|
|
HG13
|
C:VAL11
|
5.0
|
20.9
|
1.0
|
|
Iodine binding site 6 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 6 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I5
b:22.5
occ:0.48
|
I
|
E:PHI5
|
0.0
|
22.5
|
0.5
|
|
HE2
|
E:PHI5
|
1.9
|
29.2
|
0.5
|
|
CZ
|
E:PHI5
|
2.1
|
16.3
|
0.5
|
|
CE2
|
E:PHI5
|
2.6
|
24.4
|
0.5
|
|
HE2
|
B:PHI5
|
2.7
|
53.4
|
1.0
|
|
I
|
C:PHI5
|
2.9
|
28.9
|
0.4
|
|
CZ
|
E:PHI5
|
3.0
|
18.1
|
0.5
|
|
I
|
E:PHI5
|
3.0
|
28.6
|
0.5
|
|
CE1
|
E:PHI5
|
3.0
|
19.7
|
0.5
|
|
HE1
|
E:PHI5
|
3.0
|
23.6
|
0.5
|
|
HE2
|
C:PHI5
|
3.1
|
22.1
|
0.4
|
|
CE2
|
E:PHI5
|
3.1
|
17.7
|
0.5
|
|
HE2
|
E:PHI5
|
3.2
|
21.3
|
0.5
|
|
CE2
|
B:PHI5
|
3.3
|
44.5
|
1.0
|
|
CD2
|
E:PHI5
|
3.7
|
24.3
|
0.5
|
|
HD2
|
A:PHI5
|
3.8
|
24.8
|
1.0
|
|
CE2
|
C:PHI5
|
3.8
|
18.4
|
0.4
|
|
CD2
|
A:PHI5
|
3.9
|
20.7
|
1.0
|
|
HE2
|
C:PHI5
|
3.9
|
33.9
|
0.6
|
|
CZ
|
C:PHI5
|
4.0
|
23.0
|
0.4
|
|
HD2
|
E:PHI5
|
4.0
|
29.1
|
0.5
|
|
CZ
|
B:PHI5
|
4.0
|
19.8
|
1.0
|
|
CE2
|
A:PHI5
|
4.0
|
20.0
|
1.0
|
|
HE2
|
A:PHI5
|
4.0
|
24.0
|
1.0
|
|
CD2
|
B:PHI5
|
4.0
|
36.4
|
1.0
|
|
HD2
|
B:PHI5
|
4.1
|
43.6
|
1.0
|
|
CE1
|
E:PHI5
|
4.2
|
16.0
|
0.5
|
|
CD1
|
E:PHI5
|
4.3
|
15.3
|
0.5
|
|
HE2
|
F:PHI5
|
4.3
|
42.1
|
1.0
|
|
CD2
|
E:PHI5
|
4.4
|
14.1
|
0.5
|
|
I
|
B:PHI5
|
4.5
|
38.9
|
1.0
|
|
CG
|
A:PHI5
|
4.5
|
16.2
|
1.0
|
|
CE2
|
F:PHI5
|
4.6
|
35.1
|
1.0
|
|
HE2
|
D:PHI5
|
4.7
|
27.3
|
1.0
|
|
CZ
|
A:PHI5
|
4.7
|
17.8
|
1.0
|
|
HB2
|
A:PHI5
|
4.7
|
15.1
|
1.0
|
|
CG
|
E:PHI5
|
4.7
|
13.2
|
0.5
|
|
CE2
|
C:PHI5
|
4.8
|
28.2
|
0.6
|
|
HD2
|
F:PHI5
|
4.8
|
49.5
|
1.0
|
|
HE1
|
E:PHI5
|
4.9
|
19.2
|
0.5
|
|
CG
|
E:PHI5
|
4.9
|
13.1
|
0.5
|
|
CD2
|
F:PHI5
|
4.9
|
41.3
|
1.0
|
|
HD2
|
C:PHI5
|
4.9
|
28.6
|
0.6
|
|
CD1
|
E:PHI5
|
5.0
|
20.7
|
0.5
|
|
Iodine binding site 7 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 7 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I5
b:28.6
occ:0.52
|
I
|
E:PHI5
|
0.0
|
28.6
|
0.5
|
|
CZ
|
E:PHI5
|
2.1
|
18.1
|
0.5
|
|
HE1
|
E:PHI5
|
2.3
|
23.6
|
0.5
|
|
HE2
|
B:PHI5
|
2.4
|
53.4
|
1.0
|
|
I
|
E:PHI5
|
3.0
|
22.5
|
0.5
|
|
CE1
|
E:PHI5
|
3.1
|
16.0
|
0.5
|
|
CE2
|
E:PHI5
|
3.1
|
24.4
|
0.5
|
|
CE1
|
E:PHI5
|
3.2
|
19.7
|
0.5
|
|
HE1
|
E:PHI5
|
3.2
|
19.2
|
0.5
|
|
HE2
|
E:PHI5
|
3.2
|
29.2
|
0.5
|
|
CE2
|
B:PHI5
|
3.4
|
44.5
|
1.0
|
|
CZ
|
E:PHI5
|
3.6
|
16.3
|
0.5
|
|
HB2
|
A:PHI5
|
3.6
|
15.1
|
1.0
|
|
HB3
|
A:PHI5
|
3.7
|
15.1
|
1.0
|
|
CB
|
A:PHI5
|
3.9
|
12.5
|
1.0
|
|
CG
|
A:PHI5
|
3.9
|
16.2
|
1.0
|
|
CZ
|
B:PHI5
|
4.0
|
19.8
|
1.0
|
|
I
|
B:PHI5
|
4.1
|
38.9
|
1.0
|
|
HG13
|
E:MVA13
|
4.1
|
20.0
|
1.0
|
|
CD2
|
A:PHI5
|
4.3
|
20.7
|
1.0
|
|
HG12
|
E:MVA13
|
4.3
|
20.0
|
1.0
|
|
HB2
|
B:LEU3
|
4.3
|
17.0
|
1.0
|
|
CD1
|
E:PHI5
|
4.3
|
15.3
|
0.5
|
|
CD1
|
A:PHI5
|
4.3
|
17.5
|
1.0
|
|
HB3
|
B:LEU3
|
4.3
|
17.0
|
1.0
|
|
CD1
|
E:PHI5
|
4.4
|
20.7
|
0.5
|
|
CD2
|
E:PHI5
|
4.4
|
24.3
|
0.5
|
|
HD2
|
A:PHI5
|
4.5
|
24.8
|
1.0
|
|
CD2
|
B:PHI5
|
4.5
|
36.4
|
1.0
|
|
HD1
|
E:PHI5
|
4.5
|
18.3
|
0.5
|
|
HD1
|
A:PHI5
|
4.5
|
21.0
|
1.0
|
|
HD13
|
B:LEU3
|
4.5
|
21.5
|
1.0
|
|
HD2
|
B:PHI5
|
4.5
|
43.6
|
1.0
|
|
CG1
|
E:MVA13
|
4.7
|
16.7
|
1.0
|
|
HD12
|
B:LEU3
|
4.8
|
21.5
|
1.0
|
|
CB
|
B:LEU3
|
4.8
|
14.2
|
1.0
|
|
I
|
I:PHI5
|
4.9
|
16.9
|
1.0
|
|
CE2
|
A:PHI5
|
4.9
|
20.0
|
1.0
|
|
HG11
|
A:VAL11
|
4.9
|
19.3
|
1.0
|
|
HG21
|
A:VAL11
|
4.9
|
21.0
|
1.0
|
|
CG
|
E:PHI5
|
5.0
|
13.2
|
0.5
|
|
CE1
|
A:PHI5
|
5.0
|
22.1
|
1.0
|
|
CE2
|
E:PHI5
|
5.0
|
17.7
|
0.5
|
|
Iodine binding site 8 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 8 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:I5
b:30.7
occ:1.00
|
I
|
F:PHI5
|
0.0
|
30.7
|
1.0
|
|
CZ
|
F:PHI5
|
2.1
|
22.9
|
1.0
|
|
CE1
|
F:PHI5
|
3.1
|
31.8
|
1.0
|
|
HE1
|
F:PHI5
|
3.1
|
38.2
|
1.0
|
|
CE2
|
F:PHI5
|
3.1
|
35.1
|
1.0
|
|
HE2
|
F:PHI5
|
3.2
|
42.1
|
1.0
|
|
HB3
|
B:PHI5
|
3.4
|
15.5
|
1.0
|
|
HB2
|
B:PHI5
|
3.5
|
15.5
|
1.0
|
|
HE2
|
C:PHI5
|
3.6
|
33.9
|
0.6
|
|
CG
|
B:PHI5
|
3.7
|
17.1
|
1.0
|
|
CB
|
B:PHI5
|
3.7
|
12.9
|
1.0
|
|
HB2
|
C:LEU3
|
3.9
|
15.0
|
1.0
|
|
HD13
|
C:LEU3
|
3.9
|
22.0
|
1.0
|
|
CD1
|
B:PHI5
|
3.9
|
19.1
|
1.0
|
|
HD1
|
B:PHI5
|
3.9
|
22.9
|
1.0
|
|
HB3
|
C:LEU3
|
4.0
|
15.0
|
1.0
|
|
HG13
|
F:MVA13
|
4.0
|
22.6
|
1.0
|
|
I
|
C:PHI5
|
4.1
|
28.9
|
0.4
|
|
HD12
|
C:LEU3
|
4.1
|
22.0
|
1.0
|
|
HG12
|
F:MVA13
|
4.2
|
22.6
|
1.0
|
|
HG12
|
B:VAL11
|
4.2
|
44.4
|
1.0
|
|
I
|
C:PHI5
|
4.3
|
26.2
|
0.6
|
|
CE2
|
C:PHI5
|
4.3
|
28.2
|
0.6
|
|
CD1
|
F:PHI5
|
4.3
|
21.5
|
1.0
|
|
CD2
|
B:PHI5
|
4.3
|
36.4
|
1.0
|
|
CB
|
C:LEU3
|
4.4
|
12.5
|
1.0
|
|
CD2
|
F:PHI5
|
4.4
|
41.3
|
1.0
|
|
HG13
|
B:VAL11
|
4.4
|
44.4
|
1.0
|
|
CD1
|
C:LEU3
|
4.5
|
18.3
|
1.0
|
|
CG1
|
F:MVA13
|
4.6
|
18.9
|
1.0
|
|
CE1
|
B:PHI5
|
4.6
|
26.4
|
1.0
|
|
HE1
|
C:PHI5
|
4.7
|
25.9
|
0.4
|
|
HD2
|
B:PHI5
|
4.7
|
43.6
|
1.0
|
|
CZ
|
C:PHI5
|
4.7
|
20.9
|
0.6
|
|
HG21
|
B:VAL11
|
4.7
|
27.7
|
1.0
|
|
CZ
|
C:PHI5
|
4.7
|
23.0
|
0.4
|
|
HG11
|
F:MVA13
|
4.8
|
22.6
|
1.0
|
|
CG1
|
B:VAL11
|
4.8
|
37.0
|
1.0
|
|
HG23
|
C:MVA13
|
4.9
|
17.8
|
1.0
|
|
CE1
|
C:PHI5
|
4.9
|
21.6
|
0.4
|
|
O
|
C:LEU3
|
4.9
|
11.2
|
1.0
|
|
CG
|
F:PHI5
|
4.9
|
18.6
|
1.0
|
|
I
|
H:PHI5
|
4.9
|
19.4
|
1.0
|
|
CE2
|
B:PHI5
|
5.0
|
44.5
|
1.0
|
|
Iodine binding site 9 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 9 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:I5
b:18.9
occ:1.00
|
I
|
G:PHI5
|
0.0
|
18.9
|
1.0
|
|
CZ
|
G:PHI5
|
2.1
|
15.6
|
1.0
|
|
CE1
|
G:PHI5
|
3.0
|
14.2
|
1.0
|
|
HE1
|
G:PHI5
|
3.1
|
17.0
|
1.0
|
|
HG13
|
C:MVA13
|
3.1
|
22.6
|
1.0
|
|
CE2
|
G:PHI5
|
3.1
|
18.6
|
1.0
|
|
HD13
|
F:LEU3
|
3.1
|
22.3
|
1.0
|
|
HE2
|
G:PHI5
|
3.2
|
22.4
|
1.0
|
|
HD12
|
G:LEU3
|
3.4
|
23.7
|
1.0
|
|
HD13
|
G:LEU3
|
3.8
|
23.7
|
1.0
|
|
HD11
|
H:LEU3
|
3.9
|
20.6
|
1.0
|
|
HD12
|
H:LEU3
|
4.0
|
20.6
|
1.0
|
|
HD13
|
H:LEU3
|
4.1
|
20.6
|
1.0
|
|
CD1
|
F:LEU3
|
4.1
|
18.6
|
1.0
|
|
CG1
|
C:MVA13
|
4.1
|
18.8
|
1.0
|
|
CD1
|
G:LEU3
|
4.1
|
19.8
|
1.0
|
|
HD22
|
F:LEU3
|
4.1
|
21.2
|
1.0
|
|
HG11
|
D:VAL11
|
4.1
|
19.8
|
1.0
|
|
I
|
H:PHI5
|
4.1
|
19.4
|
1.0
|
|
CD1
|
H:LEU3
|
4.2
|
17.2
|
1.0
|
|
HD11
|
F:LEU3
|
4.2
|
22.3
|
1.0
|
|
HG11
|
C:MVA13
|
4.2
|
22.6
|
1.0
|
|
HB
|
C:MVA13
|
4.3
|
16.1
|
1.0
|
|
CD1
|
G:PHI5
|
4.3
|
16.9
|
1.0
|
|
HB2
|
G:LEU3
|
4.3
|
20.9
|
1.0
|
|
HB3
|
G:LEU3
|
4.4
|
20.9
|
1.0
|
|
CD2
|
G:PHI5
|
4.4
|
16.2
|
1.0
|
|
HG23
|
F:MVA13
|
4.4
|
18.7
|
1.0
|
|
HG23
|
C:MVA13
|
4.5
|
17.8
|
1.0
|
|
HD12
|
F:LEU3
|
4.6
|
22.3
|
1.0
|
|
HD11
|
G:LEU3
|
4.7
|
23.7
|
1.0
|
|
HB3
|
F:LEU3
|
4.7
|
17.1
|
1.0
|
|
HN1
|
C:MVA13
|
4.7
|
24.2
|
1.0
|
|
CB
|
C:MVA13
|
4.7
|
13.4
|
1.0
|
|
HG12
|
C:MVA13
|
4.8
|
22.6
|
1.0
|
|
CB
|
G:LEU3
|
4.8
|
17.4
|
1.0
|
|
CD2
|
F:LEU3
|
4.8
|
17.7
|
1.0
|
|
HG23
|
G:MVA13
|
4.9
|
15.8
|
1.0
|
|
CG
|
G:PHI5
|
4.9
|
15.7
|
1.0
|
|
CG1
|
D:VAL11
|
4.9
|
16.5
|
1.0
|
|
HD21
|
F:LEU3
|
4.9
|
21.2
|
1.0
|
|
CG
|
F:LEU3
|
4.9
|
15.7
|
1.0
|
|
HG13
|
F:MVA13
|
4.9
|
22.6
|
1.0
|
|
Iodine binding site 10 out
of 14 in 4p4w
Go back to
Iodine Binding Sites List in 4p4w
Iodine binding site 10 out
of 14 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:I5
b:19.4
occ:1.00
|
I
|
H:PHI5
|
0.0
|
19.4
|
1.0
|
|
CZ
|
H:PHI5
|
2.1
|
15.6
|
1.0
|
|
CE2
|
H:PHI5
|
3.1
|
17.6
|
1.0
|
|
CE1
|
H:PHI5
|
3.1
|
15.7
|
1.0
|
|
HG13
|
F:MVA13
|
3.1
|
22.6
|
1.0
|
|
HE2
|
H:PHI5
|
3.1
|
21.1
|
1.0
|
|
HE1
|
H:PHI5
|
3.1
|
18.9
|
1.0
|
|
HD13
|
C:LEU3
|
3.3
|
22.0
|
1.0
|
|
HD12
|
H:LEU3
|
3.4
|
20.6
|
1.0
|
|
HD11
|
G:LEU3
|
3.7
|
23.7
|
1.0
|
|
HD13
|
G:LEU3
|
3.8
|
23.7
|
1.0
|
|
HD13
|
H:LEU3
|
3.9
|
20.6
|
1.0
|
|
HD12
|
G:LEU3
|
3.9
|
23.7
|
1.0
|
|
HG11
|
F:MVA13
|
3.9
|
22.6
|
1.0
|
|
CG1
|
F:MVA13
|
3.9
|
18.9
|
1.0
|
|
CD1
|
G:LEU3
|
4.0
|
19.8
|
1.0
|
|
HB
|
F:MVA13
|
4.1
|
20.4
|
1.0
|
|
CD1
|
C:LEU3
|
4.1
|
18.3
|
1.0
|
|
CD1
|
H:LEU3
|
4.1
|
17.2
|
1.0
|
|
HG21
|
B:VAL11
|
4.1
|
27.7
|
1.0
|
|
HD11
|
C:LEU3
|
4.1
|
22.0
|
1.0
|
|
I
|
G:PHI5
|
4.1
|
18.9
|
1.0
|
|
HB2
|
H:LEU3
|
4.2
|
18.2
|
1.0
|
|
HN1
|
F:MVA13
|
4.3
|
23.5
|
1.0
|
|
HD22
|
C:LEU3
|
4.3
|
20.2
|
1.0
|
|
CD1
|
H:PHI5
|
4.3
|
14.7
|
1.0
|
|
CD2
|
H:PHI5
|
4.4
|
18.5
|
1.0
|
|
HB3
|
H:LEU3
|
4.4
|
18.2
|
1.0
|
|
CB
|
F:MVA13
|
4.6
|
17.0
|
1.0
|
|
HD12
|
C:LEU3
|
4.6
|
22.0
|
1.0
|
|
HG23
|
F:MVA13
|
4.7
|
18.7
|
1.0
|
|
CB
|
H:LEU3
|
4.7
|
15.2
|
1.0
|
|
HD11
|
H:LEU3
|
4.7
|
20.6
|
1.0
|
|
HG12
|
F:MVA13
|
4.8
|
22.6
|
1.0
|
|
HG23
|
C:MVA13
|
4.8
|
17.8
|
1.0
|
|
HG22
|
B:VAL11
|
4.8
|
27.7
|
1.0
|
|
CG2
|
B:VAL11
|
4.8
|
23.1
|
1.0
|
|
CG
|
H:PHI5
|
4.9
|
14.8
|
1.0
|
|
I
|
F:PHI5
|
4.9
|
30.7
|
1.0
|
|
HD21
|
C:LEU3
|
5.0
|
20.2
|
1.0
|
|
CD2
|
C:LEU3
|
5.0
|
16.9
|
1.0
|
|
Reference:
R.K.Spencer,
A.G.Kreutzer,
P.J.Salveson,
H.Li,
J.S.Nowick.
X-Ray Crystallographic Structures of Oligomers of Peptides Derived From Beta 2-Microglobulin. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25915729
DOI: 10.1021/JACS.5B01673
Page generated: Sun Dec 13 19:36:09 2020
|
