Iodine in PDB 4p4z: Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Protein crystallography data
The structure of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk, PDB code: 4p4z
was solved by
R.K.Spencer,
J.S.Nowick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.13 /
1.31
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.310,
63.310,
126.710,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.1 /
17.5
|
Other elements in 4p4z:
The structure of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk also contains other interesting chemical elements:
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iodine atom in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
(pdb code 4p4z). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the
Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk, PDB code: 4p4z:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 1 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I5
b:18.1
occ:1.00
|
I
|
A:PHI5
|
0.0
|
18.1
|
1.0
|
CZ
|
A:PHI5
|
2.1
|
12.9
|
1.0
|
CE1
|
A:PHI5
|
3.0
|
12.0
|
1.0
|
HE1
|
A:PHI5
|
3.0
|
14.4
|
1.0
|
CE2
|
A:PHI5
|
3.1
|
12.6
|
1.0
|
HE2
|
A:PHI5
|
3.2
|
15.1
|
1.0
|
HE1
|
D:PHI5
|
3.5
|
17.6
|
1.0
|
HD12
|
A:LEU3
|
3.5
|
18.6
|
1.0
|
HD13
|
A:LEU3
|
3.7
|
18.6
|
1.0
|
HG23
|
A:MVA13
|
3.9
|
14.3
|
1.0
|
CD1
|
A:LEU3
|
4.0
|
15.5
|
1.0
|
CE1
|
D:PHI5
|
4.1
|
14.7
|
1.0
|
CD1
|
A:PHI5
|
4.3
|
11.2
|
1.0
|
HG21
|
A:MVA13
|
4.4
|
14.3
|
1.0
|
CD2
|
A:PHI5
|
4.4
|
13.1
|
1.0
|
HB3
|
A:LEU3
|
4.4
|
13.1
|
1.0
|
HB2
|
A:LEU3
|
4.4
|
13.1
|
1.0
|
CG2
|
A:MVA13
|
4.6
|
11.9
|
1.0
|
HD11
|
A:LEU3
|
4.7
|
18.6
|
1.0
|
I
|
D:PHI5
|
4.7
|
19.9
|
1.0
|
CZ
|
D:PHI5
|
4.8
|
14.7
|
1.0
|
CB
|
A:LEU3
|
4.8
|
10.9
|
1.0
|
HD1
|
D:PHI5
|
4.8
|
15.5
|
1.0
|
CD1
|
D:PHI5
|
4.9
|
12.9
|
1.0
|
CG
|
A:PHI5
|
4.9
|
10.1
|
1.0
|
HG13
|
A:MVA13
|
4.9
|
16.4
|
1.0
|
HD12
|
B:LEU3
|
5.0
|
16.1
|
1.0
|
I
|
B:PHI5
|
5.0
|
19.4
|
1.0
|
HD1
|
A:PHI5
|
5.0
|
13.4
|
1.0
|
|
Iodine binding site 2 out
of 12 in 4p4z
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Iodine Binding Sites List in 4p4z
Iodine binding site 2 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I5
b:19.4
occ:1.00
|
I
|
B:PHI5
|
0.0
|
19.4
|
1.0
|
CZ
|
B:PHI5
|
2.1
|
11.8
|
1.0
|
CE1
|
B:PHI5
|
3.0
|
11.8
|
1.0
|
HE1
|
B:PHI5
|
3.1
|
14.2
|
1.0
|
CE2
|
B:PHI5
|
3.1
|
14.0
|
1.0
|
HE2
|
B:PHI5
|
3.2
|
16.8
|
1.0
|
HD12
|
B:LEU3
|
3.4
|
16.1
|
1.0
|
HE1
|
C:PHI5
|
3.5
|
17.1
|
1.0
|
HG13
|
A:MVA13
|
3.6
|
16.4
|
1.0
|
HD13
|
B:LEU3
|
3.6
|
16.1
|
1.0
|
CD1
|
B:LEU3
|
4.0
|
13.4
|
1.0
|
HG23
|
B:MVA13
|
4.1
|
15.5
|
1.0
|
CE1
|
C:PHI5
|
4.3
|
14.3
|
1.0
|
CD1
|
B:PHI5
|
4.3
|
13.3
|
1.0
|
CD2
|
B:PHI5
|
4.4
|
13.6
|
1.0
|
HB3
|
B:LEU3
|
4.5
|
11.8
|
1.0
|
HG23
|
A:MVA13
|
4.5
|
14.3
|
1.0
|
HB2
|
B:LEU3
|
4.5
|
11.8
|
1.0
|
HG21
|
B:MVA13
|
4.5
|
15.5
|
1.0
|
HD11
|
B:LEU3
|
4.6
|
16.1
|
1.0
|
CG1
|
A:MVA13
|
4.6
|
13.7
|
1.0
|
HE1
|
A:PHI5
|
4.8
|
14.4
|
1.0
|
HB
|
A:MVA13
|
4.8
|
12.8
|
1.0
|
CG2
|
B:MVA13
|
4.8
|
12.9
|
1.0
|
HG11
|
C:VAL11
|
4.8
|
17.5
|
1.0
|
HD1
|
C:PHI5
|
4.8
|
13.9
|
1.0
|
CB
|
B:LEU3
|
4.9
|
9.9
|
1.0
|
CG
|
B:PHI5
|
4.9
|
12.3
|
1.0
|
I
|
D:PHI5
|
5.0
|
19.9
|
1.0
|
CD1
|
C:PHI5
|
5.0
|
11.6
|
1.0
|
I
|
A:PHI5
|
5.0
|
18.1
|
1.0
|
I
|
C:PHI5
|
5.0
|
18.6
|
1.0
|
CZ
|
C:PHI5
|
5.0
|
13.6
|
1.0
|
|
Iodine binding site 3 out
of 12 in 4p4z
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Iodine Binding Sites List in 4p4z
Iodine binding site 3 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I5
b:18.6
occ:1.00
|
I
|
C:PHI5
|
0.0
|
18.6
|
1.0
|
CZ
|
C:PHI5
|
2.1
|
13.6
|
1.0
|
CE1
|
C:PHI5
|
3.0
|
14.3
|
1.0
|
HE1
|
C:PHI5
|
3.1
|
17.1
|
1.0
|
CE2
|
C:PHI5
|
3.1
|
13.7
|
1.0
|
HE2
|
C:PHI5
|
3.2
|
16.5
|
1.0
|
HD12
|
C:LEU3
|
3.5
|
20.0
|
1.0
|
HD13
|
C:LEU3
|
3.8
|
20.0
|
1.0
|
HG23
|
C:MVA13
|
4.1
|
15.3
|
1.0
|
HE1
|
B:PHI5
|
4.1
|
14.2
|
1.0
|
CD1
|
C:LEU3
|
4.1
|
16.7
|
1.0
|
HB3
|
C:LEU3
|
4.2
|
16.3
|
1.0
|
HB2
|
C:LEU3
|
4.3
|
16.3
|
1.0
|
CD1
|
C:PHI5
|
4.3
|
11.6
|
1.0
|
HG21
|
C:MVA13
|
4.4
|
15.3
|
1.0
|
CD2
|
C:PHI5
|
4.4
|
13.5
|
1.0
|
CB
|
C:LEU3
|
4.7
|
13.6
|
1.0
|
CG2
|
C:MVA13
|
4.7
|
12.8
|
1.0
|
HD11
|
C:LEU3
|
4.8
|
20.0
|
1.0
|
HD12
|
D:LEU3
|
4.8
|
20.1
|
1.0
|
I
|
D:PHI5
|
4.9
|
19.9
|
1.0
|
CG
|
C:PHI5
|
4.9
|
11.5
|
1.0
|
CE1
|
B:PHI5
|
4.9
|
11.8
|
1.0
|
I
|
B:PHI5
|
5.0
|
19.4
|
1.0
|
|
Iodine binding site 4 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 4 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I5
b:19.9
occ:1.00
|
I
|
D:PHI5
|
0.0
|
19.9
|
1.0
|
CZ
|
D:PHI5
|
2.1
|
14.7
|
1.0
|
CE1
|
D:PHI5
|
3.0
|
14.7
|
1.0
|
HE1
|
D:PHI5
|
3.0
|
17.6
|
1.0
|
CE2
|
D:PHI5
|
3.1
|
16.2
|
1.0
|
HG13
|
C:MVA13
|
3.1
|
15.8
|
1.0
|
HE2
|
D:PHI5
|
3.2
|
19.4
|
1.0
|
HD13
|
D:LEU3
|
3.6
|
20.1
|
1.0
|
HD12
|
D:LEU3
|
3.6
|
20.1
|
1.0
|
HG23
|
C:MVA13
|
3.8
|
15.3
|
1.0
|
HG23
|
D:MVA13
|
3.9
|
15.8
|
1.0
|
HE1
|
A:PHI5
|
4.1
|
14.4
|
1.0
|
CD1
|
D:LEU3
|
4.1
|
16.8
|
1.0
|
HB3
|
D:LEU3
|
4.1
|
15.2
|
1.0
|
CG1
|
C:MVA13
|
4.2
|
13.2
|
1.0
|
HG21
|
D:MVA13
|
4.2
|
15.8
|
1.0
|
CD1
|
D:PHI5
|
4.3
|
12.9
|
1.0
|
HE1
|
C:PHI5
|
4.3
|
17.1
|
1.0
|
HB2
|
D:LEU3
|
4.3
|
15.2
|
1.0
|
HB
|
C:MVA13
|
4.4
|
15.3
|
1.0
|
CD2
|
D:PHI5
|
4.4
|
14.7
|
1.0
|
CG2
|
D:MVA13
|
4.6
|
13.2
|
1.0
|
CG2
|
C:MVA13
|
4.7
|
12.8
|
1.0
|
CB
|
D:LEU3
|
4.7
|
12.7
|
1.0
|
CB
|
C:MVA13
|
4.7
|
12.8
|
1.0
|
HG11
|
C:MVA13
|
4.7
|
15.8
|
1.0
|
HG12
|
C:MVA13
|
4.7
|
15.8
|
1.0
|
I
|
A:PHI5
|
4.7
|
18.1
|
1.0
|
HD11
|
D:LEU3
|
4.8
|
20.1
|
1.0
|
CE1
|
A:PHI5
|
4.8
|
12.0
|
1.0
|
I
|
C:PHI5
|
4.9
|
18.6
|
1.0
|
CG
|
D:PHI5
|
4.9
|
12.3
|
1.0
|
HG13
|
D:MVA13
|
4.9
|
14.7
|
1.0
|
I
|
B:PHI5
|
5.0
|
19.4
|
1.0
|
|
Iodine binding site 5 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 5 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I5
b:17.5
occ:1.00
|
I
|
E:PHI5
|
0.0
|
17.5
|
1.0
|
CZ
|
E:PHI5
|
2.1
|
13.1
|
1.0
|
CE1
|
E:PHI5
|
3.0
|
14.4
|
1.0
|
HE1
|
E:PHI5
|
3.0
|
17.3
|
1.0
|
CE2
|
E:PHI5
|
3.1
|
12.4
|
1.0
|
HE2
|
E:PHI5
|
3.2
|
14.9
|
1.0
|
HD12
|
E:LEU3
|
3.4
|
20.5
|
1.0
|
HG13
|
G:MVA13
|
3.5
|
14.3
|
1.0
|
HD13
|
E:LEU3
|
3.5
|
20.5
|
1.0
|
HE1
|
F:PHI5
|
3.7
|
14.5
|
1.0
|
CD1
|
E:LEU3
|
3.9
|
17.1
|
1.0
|
CD1
|
E:PHI5
|
4.3
|
12.0
|
1.0
|
HG23
|
E:MVA13
|
4.3
|
14.6
|
1.0
|
HG23
|
G:MVA13
|
4.3
|
12.2
|
1.0
|
HB3
|
E:LEU3
|
4.4
|
14.1
|
1.0
|
I
|
L:PHI5
|
4.4
|
16.4
|
1.0
|
CD2
|
E:PHI5
|
4.4
|
12.7
|
1.0
|
CE1
|
F:PHI5
|
4.4
|
12.1
|
1.0
|
HB2
|
E:LEU3
|
4.4
|
14.1
|
1.0
|
HD11
|
E:LEU3
|
4.5
|
20.5
|
1.0
|
HE1
|
G:PHI5
|
4.5
|
13.5
|
1.0
|
CG1
|
G:MVA13
|
4.6
|
11.9
|
1.0
|
HB
|
G:MVA13
|
4.7
|
11.4
|
1.0
|
HG21
|
E:MVA13
|
4.8
|
14.6
|
1.0
|
CB
|
E:LEU3
|
4.8
|
11.7
|
1.0
|
I
|
F:PHI5
|
4.8
|
16.4
|
1.0
|
CG
|
E:PHI5
|
4.9
|
11.3
|
1.0
|
I
|
G:PHI5
|
5.0
|
15.8
|
1.0
|
I
|
H:PHI5
|
5.0
|
16.1
|
1.0
|
|
Iodine binding site 6 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 6 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:I5
b:16.4
occ:1.00
|
I
|
F:PHI5
|
0.0
|
16.4
|
1.0
|
CZ
|
F:PHI5
|
2.1
|
13.3
|
1.0
|
CE1
|
F:PHI5
|
3.0
|
12.1
|
1.0
|
HE1
|
F:PHI5
|
3.0
|
14.5
|
1.0
|
CE2
|
F:PHI5
|
3.1
|
12.3
|
1.0
|
HE2
|
F:PHI5
|
3.2
|
14.8
|
1.0
|
HG13
|
K:MVA13
|
3.3
|
15.3
|
1.0
|
HD12
|
F:LEU3
|
3.6
|
18.4
|
1.0
|
HD13
|
F:LEU3
|
3.7
|
18.4
|
1.0
|
HG23
|
K:MVA13
|
3.7
|
16.4
|
1.0
|
HE1
|
E:PHI5
|
3.8
|
17.3
|
1.0
|
HG23
|
F:MVA13
|
4.0
|
13.8
|
1.0
|
CD1
|
F:LEU3
|
4.1
|
15.4
|
1.0
|
CD1
|
F:PHI5
|
4.3
|
11.3
|
1.0
|
CG1
|
K:MVA13
|
4.3
|
12.8
|
1.0
|
CD2
|
F:PHI5
|
4.4
|
12.1
|
1.0
|
HB
|
K:MVA13
|
4.4
|
13.4
|
1.0
|
HE1
|
K:PHI5
|
4.4
|
14.4
|
1.0
|
HB3
|
F:LEU3
|
4.4
|
12.2
|
1.0
|
HG21
|
F:MVA13
|
4.5
|
13.8
|
1.0
|
CE1
|
E:PHI5
|
4.5
|
14.4
|
1.0
|
HB2
|
F:LEU3
|
4.5
|
12.2
|
1.0
|
I
|
K:PHI5
|
4.5
|
17.1
|
1.0
|
CG2
|
K:MVA13
|
4.6
|
13.7
|
1.0
|
HD11
|
F:LEU3
|
4.7
|
18.4
|
1.0
|
CB
|
K:MVA13
|
4.7
|
11.2
|
1.0
|
CG2
|
F:MVA13
|
4.8
|
11.5
|
1.0
|
I
|
E:PHI5
|
4.8
|
17.5
|
1.0
|
CG
|
F:PHI5
|
4.8
|
9.2
|
1.0
|
HG12
|
K:MVA13
|
4.9
|
15.3
|
1.0
|
CB
|
F:LEU3
|
4.9
|
10.2
|
1.0
|
HG11
|
K:MVA13
|
4.9
|
15.3
|
1.0
|
I
|
L:PHI5
|
5.0
|
16.4
|
1.0
|
HD1
|
F:PHI5
|
5.0
|
13.6
|
1.0
|
|
Iodine binding site 7 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 7 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:I5
b:15.8
occ:1.00
|
I
|
G:PHI5
|
0.0
|
15.8
|
1.0
|
CZ
|
G:PHI5
|
2.1
|
12.6
|
1.0
|
CE1
|
G:PHI5
|
3.0
|
11.2
|
1.0
|
HE1
|
G:PHI5
|
3.0
|
13.5
|
1.0
|
CE2
|
G:PHI5
|
3.1
|
12.5
|
1.0
|
HE2
|
G:PHI5
|
3.2
|
15.0
|
1.0
|
HG13
|
I:MVA13
|
3.4
|
16.5
|
1.0
|
HD12
|
G:LEU3
|
3.4
|
24.1
|
1.0
|
HG23
|
I:MVA13
|
3.6
|
16.0
|
1.0
|
HD13
|
G:LEU3
|
3.8
|
24.1
|
1.0
|
HG23
|
G:MVA13
|
3.9
|
12.2
|
1.0
|
HE1
|
I:PHI5
|
3.9
|
15.5
|
1.0
|
HE1
|
H:PHI5
|
4.0
|
14.8
|
1.0
|
CD1
|
G:LEU3
|
4.0
|
20.1
|
1.0
|
CD1
|
G:PHI5
|
4.3
|
10.6
|
1.0
|
I
|
I:PHI5
|
4.3
|
17.9
|
1.0
|
CG1
|
I:MVA13
|
4.4
|
13.8
|
1.0
|
CD2
|
G:PHI5
|
4.4
|
13.1
|
1.0
|
HG21
|
G:MVA13
|
4.5
|
12.2
|
1.0
|
HB
|
I:MVA13
|
4.5
|
16.9
|
1.0
|
CG2
|
I:MVA13
|
4.6
|
13.3
|
1.0
|
HD11
|
G:LEU3
|
4.6
|
24.1
|
1.0
|
HB2
|
G:LEU3
|
4.6
|
15.3
|
1.0
|
HB3
|
G:LEU3
|
4.6
|
15.3
|
1.0
|
CE1
|
H:PHI5
|
4.7
|
12.3
|
1.0
|
CG2
|
G:MVA13
|
4.7
|
10.2
|
1.0
|
CB
|
I:MVA13
|
4.8
|
14.1
|
1.0
|
CE1
|
I:PHI5
|
4.8
|
12.9
|
1.0
|
I
|
H:PHI5
|
4.8
|
16.1
|
1.0
|
I
|
J:PHI5
|
4.8
|
16.3
|
1.0
|
HD13
|
I:LEU3
|
4.9
|
27.6
|
1.0
|
HG12
|
I:MVA13
|
4.9
|
16.5
|
1.0
|
CG
|
G:PHI5
|
4.9
|
10.6
|
1.0
|
HD12
|
E:LEU3
|
4.9
|
20.5
|
1.0
|
I
|
E:PHI5
|
5.0
|
17.5
|
1.0
|
|
Iodine binding site 8 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 8 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:I5
b:16.1
occ:1.00
|
I
|
H:PHI5
|
0.0
|
16.1
|
1.0
|
CZ
|
H:PHI5
|
2.1
|
14.5
|
1.0
|
CE1
|
H:PHI5
|
3.0
|
12.3
|
1.0
|
HE1
|
H:PHI5
|
3.0
|
14.8
|
1.0
|
CE2
|
H:PHI5
|
3.1
|
12.5
|
1.0
|
HE2
|
H:PHI5
|
3.2
|
15.0
|
1.0
|
HD12
|
H:LEU3
|
3.5
|
17.6
|
1.0
|
HG13
|
F:MVA13
|
3.5
|
12.3
|
1.0
|
HE1
|
G:PHI5
|
3.5
|
13.5
|
1.0
|
HD13
|
H:LEU3
|
3.7
|
17.6
|
1.0
|
CD1
|
H:LEU3
|
4.0
|
14.7
|
1.0
|
HG23
|
H:MVA13
|
4.1
|
14.7
|
1.0
|
CD1
|
H:PHI5
|
4.3
|
11.7
|
1.0
|
CE1
|
G:PHI5
|
4.3
|
11.2
|
1.0
|
HB3
|
H:LEU3
|
4.4
|
14.2
|
1.0
|
HB2
|
H:LEU3
|
4.4
|
14.2
|
1.0
|
I
|
J:PHI5
|
4.4
|
16.3
|
1.0
|
CD2
|
H:PHI5
|
4.4
|
11.9
|
1.0
|
HG23
|
F:MVA13
|
4.4
|
13.8
|
1.0
|
CG1
|
F:MVA13
|
4.6
|
10.2
|
1.0
|
HG21
|
H:MVA13
|
4.6
|
14.7
|
1.0
|
HE1
|
F:PHI5
|
4.7
|
14.5
|
1.0
|
HD11
|
H:LEU3
|
4.7
|
17.6
|
1.0
|
HB
|
F:MVA13
|
4.7
|
11.7
|
1.0
|
CB
|
H:LEU3
|
4.8
|
11.8
|
1.0
|
I
|
G:PHI5
|
4.8
|
15.8
|
1.0
|
CG
|
H:PHI5
|
4.9
|
12.8
|
1.0
|
CG2
|
H:MVA13
|
4.9
|
12.2
|
1.0
|
HD1
|
G:PHI5
|
4.9
|
12.7
|
1.0
|
HD12
|
J:LEU3
|
4.9
|
18.8
|
0.6
|
CZ
|
G:PHI5
|
5.0
|
12.6
|
1.0
|
HG11
|
F:MVA13
|
5.0
|
12.3
|
1.0
|
I
|
E:PHI5
|
5.0
|
17.5
|
1.0
|
|
Iodine binding site 9 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 9 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:I5
b:17.9
occ:1.00
|
I
|
I:PHI5
|
0.0
|
17.9
|
1.0
|
CZ
|
I:PHI5
|
2.1
|
13.6
|
1.0
|
CE1
|
I:PHI5
|
3.0
|
12.9
|
1.0
|
HE1
|
I:PHI5
|
3.0
|
15.5
|
1.0
|
CE2
|
I:PHI5
|
3.1
|
14.9
|
1.0
|
HE2
|
I:PHI5
|
3.2
|
17.9
|
1.0
|
HG13
|
L:MVA13
|
3.4
|
14.8
|
1.0
|
HD12
|
I:LEU3
|
3.4
|
27.6
|
1.0
|
HE1
|
J:PHI5
|
3.6
|
16.3
|
1.0
|
HD13
|
I:LEU3
|
3.8
|
27.6
|
1.0
|
CD1
|
I:LEU3
|
4.1
|
23.0
|
1.0
|
HG23
|
I:MVA13
|
4.2
|
16.0
|
1.0
|
CD1
|
I:PHI5
|
4.3
|
12.4
|
1.0
|
HG23
|
L:MVA13
|
4.3
|
15.9
|
1.0
|
I
|
G:PHI5
|
4.3
|
15.8
|
1.0
|
HB3
|
I:LEU3
|
4.4
|
16.7
|
1.0
|
CE1
|
J:PHI5
|
4.4
|
13.6
|
1.0
|
CD2
|
I:PHI5
|
4.4
|
12.6
|
1.0
|
CG1
|
L:MVA13
|
4.4
|
12.3
|
1.0
|
HB2
|
I:LEU3
|
4.5
|
16.7
|
1.0
|
HG21
|
I:MVA13
|
4.6
|
16.0
|
1.0
|
HE1
|
L:PHI5
|
4.6
|
15.2
|
1.0
|
HD11
|
I:LEU3
|
4.6
|
27.6
|
1.0
|
HB
|
L:MVA13
|
4.8
|
14.4
|
1.0
|
I
|
J:PHI5
|
4.8
|
16.3
|
1.0
|
CG
|
I:PHI5
|
4.8
|
11.6
|
1.0
|
CB
|
I:LEU3
|
4.9
|
13.9
|
1.0
|
I
|
K:PHI5
|
4.9
|
17.1
|
1.0
|
CG2
|
I:MVA13
|
4.9
|
13.3
|
1.0
|
HG11
|
L:MVA13
|
4.9
|
14.8
|
1.0
|
HG12
|
L:MVA13
|
4.9
|
14.8
|
1.0
|
HD1
|
I:PHI5
|
5.0
|
14.9
|
1.0
|
|
Iodine binding site 10 out
of 12 in 4p4z
Go back to
Iodine Binding Sites List in 4p4z
Iodine binding site 10 out
of 12 in the Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Octomer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Mva)Tvk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:I5
b:16.3
occ:1.00
|
I
|
J:PHI5
|
0.0
|
16.3
|
1.0
|
CZ
|
J:PHI5
|
2.1
|
14.5
|
1.0
|
CE1
|
J:PHI5
|
3.0
|
13.6
|
1.0
|
HE1
|
J:PHI5
|
3.0
|
16.3
|
1.0
|
CE2
|
J:PHI5
|
3.1
|
11.7
|
1.0
|
HE2
|
J:PHI5
|
3.2
|
14.1
|
1.0
|
HD23
|
J:LEU3
|
3.3
|
17.3
|
0.4
|
HG13
|
H:MVA13
|
3.4
|
15.5
|
1.0
|
HD12
|
J:LEU3
|
3.5
|
18.8
|
0.6
|
HD13
|
J:LEU3
|
3.6
|
18.8
|
0.6
|
HG23
|
H:MVA13
|
3.7
|
14.7
|
1.0
|
HD22
|
J:LEU3
|
3.8
|
17.3
|
0.4
|
HE1
|
I:PHI5
|
3.8
|
15.5
|
1.0
|
HE1
|
H:PHI5
|
4.0
|
14.8
|
1.0
|
HG23
|
J:MVA13
|
4.0
|
13.9
|
1.0
|
CD1
|
J:LEU3
|
4.0
|
15.7
|
0.6
|
CD2
|
J:LEU3
|
4.0
|
14.4
|
0.4
|
HB3
|
J:LEU3
|
4.2
|
14.7
|
0.4
|
CD1
|
J:PHI5
|
4.3
|
11.9
|
1.0
|
I
|
H:PHI5
|
4.4
|
16.1
|
1.0
|
CD2
|
J:PHI5
|
4.4
|
12.1
|
1.0
|
CG1
|
H:MVA13
|
4.4
|
12.9
|
1.0
|
HB3
|
J:LEU3
|
4.4
|
13.2
|
0.6
|
HG21
|
J:MVA13
|
4.5
|
13.9
|
1.0
|
HB2
|
J:LEU3
|
4.5
|
13.2
|
0.6
|
HB
|
H:MVA13
|
4.5
|
12.2
|
1.0
|
CE1
|
I:PHI5
|
4.6
|
12.9
|
1.0
|
HB2
|
J:LEU3
|
4.6
|
14.7
|
0.4
|
HD11
|
J:LEU3
|
4.6
|
18.8
|
0.6
|
HD21
|
J:LEU3
|
4.6
|
17.3
|
0.4
|
CG2
|
H:MVA13
|
4.7
|
12.2
|
1.0
|
CG2
|
J:MVA13
|
4.8
|
11.6
|
1.0
|
CB
|
J:LEU3
|
4.8
|
12.2
|
0.4
|
CB
|
H:MVA13
|
4.8
|
10.2
|
1.0
|
I
|
G:PHI5
|
4.8
|
15.8
|
1.0
|
CE1
|
H:PHI5
|
4.8
|
12.3
|
1.0
|
I
|
I:PHI5
|
4.8
|
17.9
|
1.0
|
CG
|
J:PHI5
|
4.9
|
12.0
|
1.0
|
CB
|
J:LEU3
|
4.9
|
11.0
|
0.6
|
HG12
|
H:MVA13
|
4.9
|
15.5
|
1.0
|
HD12
|
K:LEU3
|
4.9
|
16.0
|
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 Aug 11 19:24:06 2024
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