Chlorine in PDB 5d65: X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex

The structure of X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex, PDB code: 5d65 was solved by W.G.Liang, D.Y.Hwang, M.M.Zulueta, S.C.Hung, W.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.22 / 3.10
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	181.061, 181.061, 77.378, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 24.3

The binding sites of Chlorine atom in the X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex (pdb code 5d65). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex, PDB code: 5d65:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:60.4 occ:1.00 OG B:SER36 2.6 87.1 1.0 N B:SER36 3.1 60.4 1.0 N C:SER36 3.3 50.7 1.0 CB B:SER36 3.5 46.7 1.0 OG C:SER36 3.7 74.5 1.0 CB C:SER36 3.7 53.0 1.0 CA B:SER36 3.8 47.1 1.0 C B:CYS35 3.9 46.8 1.0 CZ C:PHE13 3.9 48.6 1.0 CA B:CYS35 3.9 46.4 1.0 CA C:CYS35 4.0 57.7 1.0 CZ B:PHE13 4.0 43.5 1.0 CE1 C:PHE13 4.0 49.2 1.0 C C:CYS35 4.1 56.4 1.0 CA C:SER36 4.1 52.9 1.0 O B:GLN34 4.1 70.8 1.0 CE1 B:PHE13 4.2 47.9 1.0 O C:GLN34 4.3 74.7 1.0 SG B:CYS11 4.6 44.3 1.0 SG C:CYS11 4.6 43.8 1.0 CB C:CYS35 4.8 52.1 1.0 CB B:CYS35 4.8 45.5 1.0 N B:CYS35 4.9 59.9 1.0 C B:GLN34 4.9 65.5 1.0 O B:CYS35 5.0 47.6 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Macrophage Inflammatory Protein-1 Alpha (CCL3) with Heparin Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl103 b:69.2 occ:1.00 N D:SER36 3.1 70.5 1.0 N E:SER36 3.2 63.8 1.0 OG E:SER36 3.4 87.7 1.0 CB E:SER36 3.5 67.9 1.0 CB D:SER36 3.5 65.6 1.0 OG D:SER36 3.6 81.8 1.0 CZ E:PHE13 3.8 65.0 1.0 CA D:SER36 3.9 66.9 1.0 CA D:CYS35 3.9 59.7 1.0 C D:CYS35 3.9 61.9 1.0 CA E:SER36 3.9 71.6 1.0 CZ D:PHE13 4.0 64.1 1.0 CE1 E:PHE13 4.1 67.5 1.0 CA E:CYS35 4.1 73.2 1.0 C E:CYS35 4.1 64.4 1.0 O D:GLN34 4.2 73.6 1.0 O E:GLN34 4.5 90.3 1.0 CE1 D:PHE13 4.7 69.7 1.0 SG E:CYS11 4.7 60.2 1.0 CB D:CYS35 4.7 63.5 1.0 SG D:CYS11 4.8 57.9 1.0 CB E:CYS35 4.9 75.5 1.0 N D:CYS35 4.9 58.5 1.0 C D:GLN34 5.0 71.1 1.0 CE2 D:PHE13 5.0 63.3 1.0

W.G.Liang, C.G.Triandafillou, T.Y.Huang, M.M.Zulueta, S.Banerjee, A.R.Dinner, S.C.Hung, W.J.Tang. Structural Basis For Oligomerization and Glycosaminoglycan Binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.Usa V. 113 5000 2016.
ISSN: ESSN 1091-6490
PubMed: 27091995
DOI: 10.1073/PNAS.1523981113