Chlorine 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:

Iodine

(I)

12 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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 K:Cl102 b:65.5 occ:1.00 HE1 K:ORN9 2.6 74.2 1.0 HD3 K:ORN9 3.4 77.5 1.0 NE K:ORN9 3.5 61.8 1.0 CD K:ORN9 3.9 64.6 1.0 O K:THR7 4.1 49.4 1.0 HB K:THR7 4.1 69.1 1.0 HA K:GLU8 4.1 70.5 1.0 HG22 K:THR7 4.1 73.5 1.0 HG3 K:ORN9 4.3 86.0 1.0 C K:GLU8 4.6 62.6 1.0 HG21 K:THR7 4.7 73.5 1.0 C K:THR7 4.7 50.5 1.0 CG K:ORN9 4.7 71.6 1.0 CG2 K:THR7 4.7 61.3 1.0 CA K:GLU8 4.8 58.8 1.0 HD2 K:ORN9 4.8 77.5 1.0 CB K:THR7 4.9 57.5 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl 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 L:Cl101 b:72.7 occ:1.00 H L:ORN9 2.9 0.3 1.0 HG3 L:ORN9 3.5 0.1 1.0 H2 L:ORN9 3.7 0.3 1.0 N L:ORN9 3.8 0.9 1.0 CG L:ORN9 4.5 0.7 1.0 HG2 L:ORN9 4.8 0.1 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