Chlorine in PDB 4p4y: Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk

The structure of Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk, PDB code: 4p4y was solved by R.K.Spencer, H.Li, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.13 / 1.51
Space group	H 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.260, 66.260, 154.630, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 17.5

The structure of Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk also contains other interesting chemical elements:

Iodine

(I)

7 atoms

The binding sites of Chlorine atom in the Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk (pdb code 4p4y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk, PDB code: 4p4y:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:61.0 occ:1.00 HZ2 B:LYS10 3.0 81.0 1.0 HA B:ORN9 3.1 27.6 1.0 HG3 B:LYS10 3.3 62.8 1.0 N B:ORN9 3.4 26.0 1.0 H2 B:ORN9 3.5 31.2 1.0 CA B:ORN9 3.7 23.0 1.0 NZ B:LYS10 3.8 67.5 1.0 HE3 C:LYS10 3.8 72.9 1.0 C B:ORN9 3.9 22.0 1.0 HZ2 C:LYS10 4.0 74.6 1.0 HZ1 B:LYS10 4.0 81.0 1.0 HZ3 B:LYS10 4.1 81.0 1.0 HZ3 C:LYS10 4.1 74.6 1.0 CG B:LYS10 4.2 52.3 1.0 HG2 B:LYS10 4.2 62.8 1.0 O B:ORN9 4.3 33.3 1.0 H B:ORN9 4.3 31.2 1.0 N B:LYS10 4.3 23.3 1.0 NZ C:LYS10 4.4 62.2 1.0 H B:LYS10 4.4 27.9 1.0 CE C:LYS10 4.6 60.7 1.0 CE B:LYS10 4.8 61.0 1.0 HE3 B:LYS10 4.9 73.2 1.0 CD B:LYS10 5.0 58.9 1.0

Chlorine binding site 2 out of 4 in the Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:83.9 occ:1.00 HE2 C:LYS10 2.9 72.9 1.0 HD2 C:LYS10 2.9 76.8 1.0 HG3 C:LYS10 3.0 67.1 1.0 HG2 B:LYS10 3.0 62.8 1.0 HE3 B:LYS10 3.2 73.2 1.0 O C:HOH204 3.3 25.6 1.0 CE C:LYS10 3.4 60.7 1.0 CD C:LYS10 3.4 64.0 1.0 HD3 B:LYS10 3.5 70.7 1.0 HE3 C:LYS10 3.5 72.9 1.0 O B:HOH203 3.6 25.0 1.0 CG C:LYS10 3.7 55.9 1.0 HB3 B:LYS10 3.8 33.1 1.0 CG B:LYS10 3.8 52.3 1.0 CD B:LYS10 3.9 58.9 1.0 CE B:LYS10 4.0 61.0 1.0 HB2 C:LYS10 4.0 48.4 1.0 CB B:LYS10 4.3 27.6 1.0 HD3 C:LYS10 4.4 76.8 1.0 HE2 B:LYS10 4.4 73.2 1.0 HA B:LYS10 4.4 29.4 1.0 CB C:LYS10 4.4 40.3 1.0 HG2 C:LYS10 4.4 67.1 1.0 HG3 B:LYS10 4.6 62.8 1.0 HA C:LYS10 4.6 34.0 1.0 H C:VAL11 4.6 23.4 1.0 H B:VAL11 4.6 26.5 1.0 NZ C:LYS10 4.8 62.2 1.0 HD2 B:LYS10 4.8 70.7 1.0 CA B:LYS10 4.9 24.5 1.0

Chlorine binding site 3 out of 4 in the Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:73.5 occ:1.00 OG1 C:THR14 3.4 39.4 1.0 HG1 C:THR14 3.4 47.3 1.0 HB C:THR14 4.4 29.1 1.0 HA C:THR14 4.4 24.0 1.0 CB C:THR14 4.4 24.2 1.0 H C:VAL15 4.6 24.8 1.0 CA C:THR14 5.0 20.0 1.0

Chlorine binding site 4 out of 4 in the Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hexamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kvt(Maa)Tvk within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl101 b:68.9 occ:0.33 HD3 G:LYS10 3.2 72.8 1.0 O G:HOH204 3.4 26.0 1.0 HB3 G:LYS10 3.7 31.2 1.0 HG2 G:LYS10 3.8 65.6 1.0 CD G:LYS10 4.1 60.7 1.0 CG G:LYS10 4.3 54.6 1.0 CB G:LYS10 4.4 26.0 1.0 HD2 G:LYS10 4.5 72.8 1.0 HA G:LYS10 4.5 28.8 1.0 H G:VAL11 4.7 24.0 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