Chlorine in PDB 4c4n: Crystal Structure of the Sonic Hedgehog-Heparin Complex

The structure of Crystal Structure of the Sonic Hedgehog-Heparin Complex, PDB code: 4c4n was solved by D.M.Whalen, T.Malinauskas, R.J.C.Gilbert, C.Siebold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 2.36
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.680, 61.600, 62.320, 90.00, 90.00, 90.00
R / Rfree (%)	20.076 / 23.227

The structure of Crystal Structure of the Sonic Hedgehog-Heparin Complex also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Sonic Hedgehog-Heparin Complex (pdb code 4c4n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Sonic Hedgehog-Heparin Complex, PDB code: 4c4n:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Sonic Hedgehog-Heparin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Sonic Hedgehog-Heparin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1195 b:66.0 occ:1.00 NH1 B:ARG69 3.0 47.1 1.0 NH2 B:ARG69 3.0 45.7 1.0 O B:THR93 3.0 45.3 1.0 CD1 B:LEU98 3.3 45.2 1.0 CZ B:ARG69 3.5 47.7 1.0 CD1 A:TYR81 3.7 48.2 1.0 CD2 A:TYR81 3.7 48.7 1.0 CE2 A:TYR81 3.7 51.8 1.0 CE1 A:TYR81 3.7 50.5 1.0 CG A:TYR81 3.7 46.8 1.0 CZ A:TYR81 3.7 52.7 1.0 C B:GLY94 3.7 41.3 1.0 N B:ALA95 3.8 42.3 1.0 C B:THR93 4.0 44.1 1.0 O B:GLY94 4.1 42.5 1.0 CA B:ALA95 4.1 41.2 1.0 CA B:GLY94 4.1 42.2 1.0 CG B:LEU98 4.4 44.1 1.0 OH A:TYR81 4.4 56.4 1.0 CB A:TYR81 4.5 44.5 1.0 N B:GLY94 4.5 43.2 1.0 CZ B:PHE74 4.7 47.7 1.0 NE B:ARG69 4.8 49.5 1.0 CB B:ALA95 4.8 41.4 1.0 CZ3 B:TRP129 4.8 45.7 1.0 CB B:THR93 4.9 42.2 1.0

D.M.Whalen, T.Malinauskas, R.J.C.Gilbert, C.Siebold. Structural Insights Into Proteoglycan-Shaped Hedgehog Signaling. Proc.Natl.Acad.Sci.Usa V. 110 16420 2013.
ISSN: ISSN 0027-8424
PubMed: 24062467
DOI: 10.1073/PNAS.1310097110