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

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

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

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 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 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 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 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 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 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 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 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 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 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

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