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Iodine in PDB 4p4x: Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk, PDB code: 4p4x 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) 32.30 / 1.90
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 61.343, 61.343, 113.963, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 23.5

Other elements in 4p4x:

The structure of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)Avk also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

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(Mle)Avk (pdb code 4p4x). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 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(Mle)Avk, PDB code: 4p4x:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in 4p4x

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Iodine binding site 1 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I5

b:40.3
occ:1.00
I A:PHI5 0.0 40.3 1.0
CZ A:PHI5 2.1 35.4 1.0
HG21 C:VAL11 2.8 49.2 1.0
CE1 A:PHI5 3.1 35.2 1.0
CE2 A:PHI5 3.1 33.3 1.0
HE2 A:PHI5 3.1 39.9 1.0
HE1 A:PHI5 3.1 42.2 1.0
HD13 B:LEU3 3.3 47.5 1.0
HD23 F:MLE13 3.4 36.6 1.0
HG22 C:VAL11 3.5 49.2 1.0
CG2 C:VAL11 3.5 41.0 1.0
HB2 F:MLE13 3.7 36.5 1.0
HD11 B:LEU3 3.7 47.5 1.0
HB3 F:MLE13 3.8 36.5 1.0
HD12 A:LEU3 3.8 59.5 1.0
HN2 F:MLE13 3.9 39.6 1.0
HG23 C:VAL11 3.9 49.2 1.0
HD22 F:MLE13 3.9 36.6 1.0
CD1 B:LEU3 3.9 39.6 1.0
CD2 F:MLE13 4.1 30.5 1.0
HD12 B:LEU3 4.1 47.5 1.0
CB F:MLE13 4.2 30.4 1.0
HD21 A:MLE13 4.3 48.5 1.0
I F:PHI5 4.3 28.9 1.0
CD1 A:PHI5 4.4 32.5 1.0
HG11 C:VAL11 4.4 44.7 1.0
HB3 A:LEU3 4.4 39.4 1.0
CD2 A:PHI5 4.4 33.4 1.0
HE1 F:PHI5 4.4 33.2 1.0
HD12 E:LEU3 4.6 45.7 1.0
HD11 A:LEU3 4.6 59.5 1.0
CD1 A:LEU3 4.7 49.5 1.0
CB C:VAL11 4.7 37.0 1.0
HD21 B:MLE13 4.8 37.6 1.0
CN F:MLE13 4.8 33.0 1.0
HD23 A:MLE13 4.8 48.5 1.0
CG F:MLE13 4.8 28.4 1.0
HD21 F:MLE13 4.9 36.6 1.0
HG13 C:VAL11 4.9 44.7 1.0
HB2 A:LEU3 4.9 39.4 1.0
CG1 C:VAL11 4.9 37.2 1.0
HD22 B:MLE13 4.9 37.6 1.0
CG A:PHI5 4.9 31.9 1.0
CD2 A:MLE13 4.9 40.5 1.0

Iodine binding site 2 out of 12 in 4p4x

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Iodine binding site 2 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I5

b:32.2
occ:1.00
I B:PHI5 0.0 32.2 1.0
CZ B:PHI5 2.1 31.0 1.0
CE1 B:PHI5 3.1 28.8 1.0
HE1 B:PHI5 3.1 34.6 1.0
CE2 B:PHI5 3.2 27.4 1.0
HE2 B:PHI5 3.2 32.8 1.0
HD23 B:MLE13 3.3 37.6 1.0
HB2 G:PHI5 3.7 30.6 1.0
HE2 F:PHI5 3.7 33.6 1.0
CG G:PHI5 3.8 28.5 1.0
HB3 G:PHI5 3.9 30.6 1.0
HD21 F:MLE13 3.9 36.6 1.0
CD2 G:PHI5 4.0 27.0 1.0
CB G:PHI5 4.0 25.5 1.0
HD13 F:LEU3 4.0 36.1 1.0
HD2 G:PHI5 4.1 32.4 1.0
CD2 B:MLE13 4.2 31.3 1.0
I F:PHI5 4.2 28.9 1.0
HD12 B:MLE13 4.3 32.3 1.0
HG23 G:VAL11 4.3 37.2 1.0
HD21 B:MLE13 4.3 37.6 1.0
HD12 F:LEU3 4.3 36.1 1.0
I E:PHI5 4.3 35.6 1.0
HB2 F:LEU3 4.3 31.5 1.0
CD1 G:PHI5 4.3 29.4 1.0
HD23 F:MLE13 4.3 36.6 1.0
CD1 B:PHI5 4.4 28.4 1.0
HB3 F:LEU3 4.4 31.5 1.0
HG21 G:VAL11 4.4 37.2 1.0
HD11 F:MLE13 4.4 33.3 1.0
CD2 B:PHI5 4.5 27.6 1.0
CE2 F:PHI5 4.5 28.0 1.0
CE2 G:PHI5 4.6 29.7 1.0
CD2 F:MLE13 4.6 30.5 1.0
CD1 F:LEU3 4.6 30.1 1.0
HD1 G:PHI5 4.7 35.3 1.0
HD12 F:MLE13 4.7 33.3 1.0
HB3 B:MLE13 4.7 35.2 1.0
HD22 B:MLE13 4.7 37.6 1.0
CG2 G:VAL11 4.8 31.0 1.0
CB F:LEU3 4.8 26.2 1.0
CZ F:PHI5 4.8 25.2 1.0
CE1 G:PHI5 4.9 30.6 1.0
CG B:PHI5 5.0 25.6 1.0

Iodine binding site 3 out of 12 in 4p4x

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Iodine binding site 3 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I5

b:38.5
occ:1.00
I C:PHI5 0.0 38.5 1.0
CZ C:PHI5 2.1 35.6 1.0
HE1 C:PHI5 3.0 41.5 1.0
CE1 C:PHI5 3.0 34.6 1.0
CE2 C:PHI5 3.2 31.6 1.0
HD21 H:MLE13 3.3 51.1 1.0
HE2 C:PHI5 3.3 37.9 1.0
HD23 C:MLE13 3.6 42.5 1.0
HB3 F:PHI5 3.7 30.9 1.0
HB2 F:PHI5 3.8 30.9 1.0
CG F:PHI5 3.8 22.4 1.0
CD2 F:PHI5 3.9 24.9 1.0
HD23 H:MLE13 3.9 51.1 1.0
HD2 F:PHI5 3.9 29.9 1.0
CB F:PHI5 3.9 25.7 1.0
HE2 H:PHI5 4.0 40.2 1.0
HB3 H:LEU3 4.0 37.2 1.0
CD2 H:MLE13 4.0 42.5 1.0
HD12 C:MLE13 4.0 33.7 1.0
HD11 H:MLE13 4.1 41.7 1.0
HD13 H:LEU3 4.1 45.6 1.0
HB2 H:LEU3 4.2 37.2 1.0
I H:PHI5 4.2 39.5 1.0
CD1 C:PHI5 4.4 30.6 1.0
HD12 H:MLE13 4.4 41.7 1.0
I K:PHI5 4.4 45.1 1.0
CD1 F:PHI5 4.4 27.8 1.0
HG11 F:VAL11 4.4 41.5 1.0
CD2 C:PHI5 4.5 30.1 1.0
CE2 F:PHI5 4.5 28.0 1.0
CE2 H:PHI5 4.5 33.5 1.0
CD2 C:MLE13 4.5 35.4 1.0
HB3 C:MLE13 4.5 37.2 1.0
CB H:LEU3 4.6 31.0 1.0
HD12 H:LEU3 4.6 45.6 1.0
HD22 H:MLE13 4.6 51.1 1.0
CD1 H:MLE13 4.6 34.8 1.0
CZ H:PHI5 4.7 34.4 1.0
HD21 C:MLE13 4.7 42.5 1.0
CD1 H:LEU3 4.7 38.0 1.0
HD1 F:PHI5 4.8 33.3 1.0
O C:HOH210 4.9 54.2 1.0
CD1 C:MLE13 4.9 28.1 1.0
HE2 F:PHI5 4.9 33.6 1.0
CG C:PHI5 5.0 30.2 1.0
CE1 F:PHI5 5.0 27.7 1.0
CG H:MLE13 5.0 35.2 1.0

Iodine binding site 4 out of 12 in 4p4x

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Iodine binding site 4 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I5

b:26.6
occ:1.00
I D:PHI5 0.0 26.6 1.0
CZ D:PHI5 2.1 28.5 1.0
CE1 D:PHI5 3.0 28.0 1.0
HE1 D:PHI5 3.1 33.6 1.0
CE2 D:PHI5 3.1 26.0 1.0
HE2 D:PHI5 3.2 31.2 1.0
HD2 H:PHI5 3.6 36.7 1.0
HD21 G:MLE13 3.6 38.3 1.0
HE2 G:PHI5 3.6 35.6 1.0
CD2 H:PHI5 3.7 30.6 1.0
HB3 H:PHI5 3.8 31.8 1.0
HD23 G:MLE13 3.8 38.3 1.0
HB2 H:PHI5 3.8 31.8 1.0
CG H:PHI5 3.8 29.9 1.0
HB3 G:LEU3 3.9 32.9 1.0
CB H:PHI5 4.0 26.5 1.0
HB2 G:LEU3 4.1 32.9 1.0
HD22 D:MLE13 4.1 36.2 1.0
CD2 G:MLE13 4.2 31.9 1.0
I G:PHI5 4.3 33.9 1.0
CE2 G:PHI5 4.3 29.7 1.0
HD11 G:MLE13 4.3 31.1 1.0
HD12 G:MLE13 4.3 31.1 1.0
I I:PHI5 4.3 38.7 1.0
HG D:MLE13 4.3 38.1 1.0
CE2 H:PHI5 4.3 33.5 1.0
CD1 D:PHI5 4.3 29.7 1.0
HG G:LEU3 4.4 40.4 1.0
CD2 D:PHI5 4.4 25.7 1.0
CB G:LEU3 4.4 27.4 1.0
HG11 H:VAL11 4.5 40.5 1.0
CZ G:PHI5 4.6 32.5 1.0
HE2 H:PHI5 4.7 40.2 1.0
CD1 H:PHI5 4.7 33.0 1.0
O D:HOH104 4.7 29.7 1.0
CD1 G:MLE13 4.7 25.9 1.0
HB3 D:MLE13 4.8 31.8 1.0
HD22 G:MLE13 4.8 38.3 1.0
CD2 D:MLE13 4.8 30.2 1.0
CG D:PHI5 4.9 24.6 1.0
O G:HOH207 4.9 24.2 1.0
HD21 D:MLE13 4.9 36.2 1.0
CG G:LEU3 5.0 33.6 1.0

Iodine binding site 5 out of 12 in 4p4x

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Iodine binding site 5 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I5

b:35.6
occ:1.00
I E:PHI5 0.0 35.6 1.0
CZ E:PHI5 2.1 32.8 1.0
CE2 E:PHI5 3.0 31.9 1.0
CE1 E:PHI5 3.1 32.8 1.0
HE2 E:PHI5 3.1 38.2 1.0
HE1 E:PHI5 3.1 39.4 1.0
HD23 B:MLE13 3.2 37.6 1.0
HD22 B:MLE13 3.3 37.6 1.0
HD13 F:LEU3 3.3 36.1 1.0
HD21 E:MLE13 3.5 50.8 1.0
HB3 B:MLE13 3.6 35.2 1.0
HD13 E:LEU3 3.6 45.7 1.0
CD2 B:MLE13 3.7 31.3 1.0
HB2 B:MLE13 3.7 35.2 1.0
HG21 G:VAL11 3.7 37.2 1.0
HN2 B:MLE13 3.9 37.8 1.0
HB G:VAL11 4.0 39.2 1.0
HG11 G:VAL11 4.0 45.1 1.0
CB B:MLE13 4.1 29.4 1.0
HD11 F:LEU3 4.1 36.1 1.0
CD1 F:LEU3 4.1 30.1 1.0
HB2 E:LEU3 4.1 36.2 1.0
I B:PHI5 4.3 32.2 1.0
HE1 B:PHI5 4.3 34.6 1.0
HD11 E:LEU3 4.3 45.7 1.0
CD2 E:PHI5 4.3 30.0 1.0
CD1 E:PHI5 4.3 32.9 1.0
CD2 E:MLE13 4.4 42.4 1.0
HD12 F:LEU3 4.4 36.1 1.0
CG2 G:VAL11 4.4 31.0 1.0
HB3 E:LEU3 4.4 36.2 1.0
CD1 E:LEU3 4.4 38.1 1.0
HD21 B:MLE13 4.4 37.6 1.0
HD22 E:MLE13 4.4 50.8 1.0
HG23 G:VAL11 4.5 37.2 1.0
CB G:VAL11 4.5 32.6 1.0
HD21 F:MLE13 4.6 36.6 1.0
CG B:MLE13 4.6 29.1 1.0
HD23 E:MLE13 4.7 50.8 1.0
CB E:LEU3 4.7 30.1 1.0
CG1 G:VAL11 4.8 37.6 1.0
CN B:MLE13 4.9 31.5 1.0
CG E:PHI5 4.9 29.6 1.0
HD13 A:LEU3 4.9 59.5 1.0
HD22 F:MLE13 4.9 36.6 1.0
CE1 B:PHI5 5.0 28.8 1.0

Iodine binding site 6 out of 12 in 4p4x

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Iodine binding site 6 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
F:I5

b:28.9
occ:1.00
I F:PHI5 0.0 28.9 1.0
CZ F:PHI5 2.2 25.2 1.0
CE1 F:PHI5 3.1 27.7 1.0
CE2 F:PHI5 3.1 28.0 1.0
HE1 F:PHI5 3.2 33.2 1.0
HE2 F:PHI5 3.2 33.6 1.0
HD21 B:MLE13 3.4 37.6 1.0
HB2 C:PHI5 3.7 30.6 1.0
HD23 F:MLE13 3.7 36.6 1.0
CG C:PHI5 3.8 30.2 1.0
HB3 C:PHI5 3.8 30.6 1.0
HD13 B:LEU3 3.9 47.5 1.0
HG11 C:VAL11 4.0 44.7 1.0
HE2 B:PHI5 4.0 32.8 1.0
CB C:PHI5 4.0 25.5 1.0
CD2 C:PHI5 4.0 30.1 1.0
HD12 F:MLE13 4.0 33.3 1.0
HD2 C:PHI5 4.1 36.1 1.0
HD12 B:LEU3 4.1 47.5 1.0
I B:PHI5 4.2 32.2 1.0
HD23 B:MLE13 4.3 37.6 1.0
CD2 B:MLE13 4.3 31.3 1.0
HB2 B:LEU3 4.3 32.2 1.0
I A:PHI5 4.3 40.3 1.0
CD1 C:PHI5 4.4 30.6 1.0
HB3 B:LEU3 4.4 32.2 1.0
CD1 F:PHI5 4.4 27.8 1.0
CD1 B:LEU3 4.4 39.6 1.0
CD2 F:PHI5 4.5 24.9 1.0
HD11 B:MLE13 4.5 32.3 1.0
CE2 C:PHI5 4.6 31.6 1.0
HB3 F:MLE13 4.6 36.5 1.0
CE2 B:PHI5 4.6 27.4 1.0
CD2 F:MLE13 4.7 30.5 1.0
HD1 C:PHI5 4.7 36.8 1.0
HD22 B:MLE13 4.7 37.6 1.0
CB B:LEU3 4.8 26.8 1.0
CG1 C:VAL11 4.8 37.2 1.0
HD21 F:MLE13 4.8 36.6 1.0
CZ B:PHI5 4.9 31.0 1.0
HG13 C:VAL11 4.9 44.7 1.0
HG21 C:VAL11 4.9 49.2 1.0
CE1 C:PHI5 4.9 34.6 1.0
CD1 F:MLE13 4.9 27.8 1.0
CG F:PHI5 5.0 22.4 1.0
HD12 B:MLE13 5.0 32.3 1.0

Iodine binding site 7 out of 12 in 4p4x

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Iodine binding site 7 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
G:I5

b:33.9
occ:1.00
I G:PHI5 0.0 33.9 1.0
CZ G:PHI5 2.1 32.5 1.0
CE1 G:PHI5 3.1 30.6 1.0
HE1 G:PHI5 3.1 36.7 1.0
CE2 G:PHI5 3.2 29.7 1.0
HE2 G:PHI5 3.2 35.6 1.0
HB3 B:PHI5 3.7 32.0 1.0
HB2 B:PHI5 3.7 32.0 1.0
HE2 D:PHI5 3.7 31.2 1.0
HD23 G:MLE13 3.7 38.3 1.0
CG B:PHI5 3.8 25.6 1.0
CD2 B:PHI5 3.9 27.6 1.0
CB B:PHI5 3.9 26.6 1.0
HD2 B:PHI5 3.9 33.1 1.0
HD11 D:LEU3 4.0 34.8 1.0
HB3 D:LEU3 4.0 33.4 1.0
HD21 D:MLE13 4.0 36.2 1.0
HD12 G:MLE13 4.2 31.1 1.0
I D:PHI5 4.3 26.6 1.0
HB2 D:LEU3 4.3 33.4 1.0
HB3 G:MLE13 4.3 36.6 1.0
HG D:MLE13 4.3 38.1 1.0
CE2 D:PHI5 4.4 26.0 1.0
CD1 G:PHI5 4.4 29.4 1.0
CD1 B:PHI5 4.4 28.4 1.0
CE2 B:PHI5 4.5 27.4 1.0
CD2 G:PHI5 4.5 27.0 1.0
HG11 B:VAL11 4.5 38.8 1.0
CB D:LEU3 4.6 27.8 1.0
I J:PHI5 4.6 25.5 1.0
HD13 D:MLE13 4.6 43.9 1.0
HD13 D:LEU3 4.7 34.8 1.0
CZ D:PHI5 4.7 28.5 1.0
HD22 D:MLE13 4.7 36.2 1.0
CD2 D:MLE13 4.7 30.2 1.0
CD2 G:MLE13 4.7 31.9 1.0
HD1 B:PHI5 4.7 34.1 1.0
CD1 D:LEU3 4.7 29.0 1.0
CE1 B:PHI5 4.9 28.8 1.0
HE2 B:PHI5 4.9 32.8 1.0
O C:HOH209 4.9 36.6 1.0
CG D:MLE13 5.0 31.7 1.0
CG G:PHI5 5.0 28.5 1.0
CZ B:PHI5 5.0 31.0 1.0

Iodine binding site 8 out of 12 in 4p4x

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Iodine binding site 8 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
H:I5

b:39.5
occ:1.00
I H:PHI5 0.0 39.5 1.0
CZ H:PHI5 2.1 34.4 1.0
CE1 H:PHI5 3.0 34.2 1.0
HE1 H:PHI5 3.0 41.1 1.0
CE2 H:PHI5 3.1 33.5 1.0
HE2 H:PHI5 3.2 40.2 1.0
HD23 H:MLE13 3.3 51.1 1.0
HD21 C:MLE13 3.5 42.5 1.0
HB2 D:PHI5 3.6 25.9 1.0
HE2 C:PHI5 3.7 37.9 1.0
CG D:PHI5 3.8 24.6 1.0
HB3 D:PHI5 3.8 25.9 1.0
CD2 D:PHI5 3.9 25.7 1.0
CB D:PHI5 3.9 21.6 1.0
HD2 D:PHI5 4.0 30.8 1.0
HD23 C:MLE13 4.0 42.5 1.0
HD11 C:LEU3 4.0 39.4 1.0
HB3 C:LEU3 4.1 34.5 1.0
HD11 C:MLE13 4.1 33.7 1.0
HD12 H:MLE13 4.2 41.7 1.0
HB2 C:LEU3 4.2 34.5 1.0
CD2 C:MLE13 4.2 35.4 1.0
I C:PHI5 4.2 38.5 1.0
CD2 H:MLE13 4.2 42.5 1.0
HB3 H:MLE13 4.3 43.9 1.0
CE2 C:PHI5 4.3 31.6 1.0
CD1 H:PHI5 4.3 33.0 1.0
HD12 C:MLE13 4.3 33.7 1.0
CD1 D:PHI5 4.4 29.7 1.0
HD21 H:MLE13 4.4 51.1 1.0
CD2 H:PHI5 4.4 30.6 1.0
CE2 D:PHI5 4.5 26.0 1.0
CZ C:PHI5 4.6 35.6 1.0
CB C:LEU3 4.6 28.8 1.0
CD1 C:MLE13 4.6 28.1 1.0
HD13 C:LEU3 4.6 39.4 1.0
HD22 H:MLE13 4.7 51.1 1.0
HD1 D:PHI5 4.7 35.6 1.0
CD1 C:LEU3 4.8 32.8 1.0
HD22 C:MLE13 4.8 42.5 1.0
O C:HOH209 4.9 36.6 1.0
CG H:PHI5 4.9 29.9 1.0
CE1 D:PHI5 4.9 28.0 1.0
HG13 D:VAL11 4.9 63.5 1.0
I L:PHI5 5.0 45.5 1.0
CD1 H:MLE13 5.0 34.8 1.0
HE2 D:PHI5 5.0 31.2 1.0
HG21 D:VAL11 5.0 58.0 1.0

Iodine binding site 9 out of 12 in 4p4x

Go back to Iodine Binding Sites List in 4p4x
Iodine binding site 9 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
I:I5

b:38.7
occ:1.00
I I:PHI5 0.0 38.7 1.0
CZ I:PHI5 2.1 33.6 1.0
CE1 I:PHI5 3.0 35.4 1.0
HE1 I:PHI5 3.1 42.4 1.0
CE2 I:PHI5 3.1 34.0 1.0
HE2 I:PHI5 3.1 40.9 1.0
HD21 I:MLE13 3.5 69.0 1.0
HG21 H:VAL11 3.5 42.3 1.0
HB3 D:MLE13 3.6 31.8 1.0
HD11 I:LEU3 3.6 50.1 1.0
HG G:LEU3 3.7 40.4 1.0
HN1 D:MLE13 3.9 37.0 1.0
HG D:MLE13 3.9 38.1 1.0
O D:HOH104 4.0 29.7 1.0
HB2 D:MLE13 4.0 31.8 1.0
HD12 I:LEU3 4.0 50.1 1.0
HD21 G:MLE13 4.1 38.3 1.0
CB D:MLE13 4.2 26.5 1.0
HB2 I:LEU3 4.2 42.1 1.0
HD22 G:MLE13 4.2 38.3 1.0
CD1 I:LEU3 4.3 41.7 1.0
CD1 I:PHI5 4.3 32.2 1.0
I D:PHI5 4.3 26.6 1.0
CD2 I:PHI5 4.4 32.1 1.0
CD2 I:MLE13 4.4 57.5 1.0
CG2 H:VAL11 4.4 35.2 1.0
CD2 G:MLE13 4.5 31.9 1.0
HE1 D:PHI5 4.5 33.6 1.0
HD23 G:MLE13 4.6 38.3 1.0
CG D:MLE13 4.6 31.7 1.0
HB3 I:LEU3 4.6 42.1 1.0
CG G:LEU3 4.6 33.6 1.0
HD22 I:MLE13 4.6 69.0 1.0
HG22 H:VAL11 4.7 42.3 1.0
HD12 G:LEU3 4.7 39.5 1.0
HD23 I:MLE13 4.7 69.0 1.0
HG23 H:VAL11 4.7 42.3 1.0
HG11 H:VAL11 4.8 40.5 1.0
CB I:LEU3 4.8 35.1 1.0
HD11 G:LEU3 4.8 39.5 1.0
CG I:PHI5 4.9 30.7 1.0
HD22 J:LEU3 4.9 48.1 1.0
CN D:MLE13 4.9 30.8 1.0
HD13 I:LEU3 4.9 50.1 1.0
HD11 I:MLE13 4.9 59.1 1.0
HB3 G:LEU3 4.9 32.9 1.0
CD1 G:LEU3 5.0 32.9 1.0

Iodine binding site 10 out of 12 in 4p4x

Go back to Iodine Binding Sites List in 4p4x
Iodine binding site 10 out of 12 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mle)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(Mle)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
J:I5

b:25.5
occ:1.00
I J:PHI5 0.0 25.5 1.0
CZ J:PHI5 2.1 26.1 1.0
CE1 J:PHI5 3.0 25.8 1.0
CE2 J:PHI5 3.1 25.6 1.0
HE1 J:PHI5 3.1 31.0 1.0
HE2 J:PHI5 3.1 30.8 1.0
HD11 D:LEU3 3.3 34.8 1.0
HD21 J:MLE13 3.6 51.7 1.0
HD21 J:LEU3 3.6 48.1 1.0
HB2 G:MLE13 3.7 36.6 1.0
HD23 G:MLE13 3.7 38.3 1.0
HD22 G:MLE13 3.8 38.3 1.0
HG21 B:VAL11 3.8 41.3 1.0
HN2 G:MLE13 3.8 39.8 1.0
HD13 I:LEU3 3.9 50.1 1.0
HB3 G:MLE13 4.1 36.6 1.0
HD12 D:LEU3 4.1 34.8 1.0
CD1 D:LEU3 4.2 29.0 1.0
HD22 D:LEU3 4.2 33.1 1.0
CD2 G:MLE13 4.2 31.9 1.0
CB G:MLE13 4.3 30.5 1.0
CD1 J:PHI5 4.3 23.0 1.0
CD2 J:PHI5 4.4 25.0 1.0
HD12 I:LEU3 4.4 50.1 1.0
CD2 J:MLE13 4.4 43.1 1.0
HB3 J:LEU3 4.5 36.6 1.0
CD1 I:LEU3 4.5 41.7 1.0
HD22 J:MLE13 4.5 51.7 1.0
CD2 J:LEU3 4.5 40.1 1.0
HD11 I:LEU3 4.5 50.1 1.0
HD23 J:LEU3 4.6 48.1 1.0
I G:PHI5 4.6 33.9 1.0
CG2 B:VAL11 4.6 34.4 1.0
CN G:MLE13 4.7 33.2 1.0
HN3 G:MLE13 4.7 39.8 1.0
HG22 B:VAL11 4.7 41.3 1.0
HD13 D:LEU3 4.8 34.8 1.0
HD21 D:LEU3 4.8 33.1 1.0
HD23 J:MLE13 4.9 51.7 1.0
CD2 D:LEU3 4.9 27.6 1.0
CG J:PHI5 4.9 26.9 1.0
HG11 B:VAL11 4.9 38.8 1.0
HD21 G:MLE13 5.0 38.3 1.0
CG G:MLE13 5.0 29.1 1.0
HB2 J:LEU3 5.0 36.6 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

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