Zinc in PDB 4c4m: Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex

The structure of Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex, PDB code: 4c4m 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)	43.828 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.350, 55.660, 71.100, 90.00, 90.00, 90.00
R / Rfree (%)	16.02 / 19.34

The structure of Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex (pdb code 4c4m). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex, PDB code: 4c4m:

Zinc binding site 1 out of 1 in the Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Sonic Hedgehog-Chondroitin-4-Sulphate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1193 b:7.8 occ:1.00 OD1 A:ASP148 2.0 5.2 1.0 O A:HOH2106 2.0 13.0 1.0 NE2 A:HIS141 2.0 4.7 1.0 ND1 A:HIS183 2.0 6.6 1.0 CG A:ASP148 2.8 9.4 1.0 CE1 A:HIS183 2.9 8.4 1.0 OD2 A:ASP148 3.0 9.6 1.0 CE1 A:HIS141 3.0 8.6 1.0 CD2 A:HIS141 3.0 7.9 1.0 CG A:HIS183 3.1 6.6 1.0 CB A:HIS183 3.6 6.7 1.0 OE1 A:GLU177 3.8 15.5 1.0 NE2 A:HIS183 4.1 9.1 1.0 ND1 A:HIS141 4.1 6.9 1.0 CG A:HIS141 4.2 5.0 1.0 CB A:ASP148 4.2 5.2 1.0 CD2 A:HIS183 4.2 8.7 1.0 CA A:HIS183 4.3 7.1 1.0 CE1 A:HIS135 4.3 10.7 1.0 O A:VAL147 4.3 8.2 1.0 ND1 A:HIS135 4.4 15.2 1.0 N A:ASP148 4.5 5.0 1.0 C A:VAL147 4.5 8.2 1.0 CA A:ASP148 4.6 5.1 1.0 NE2 A:HIS181 4.6 12.9 1.0 CB A:ALA146 4.9 6.3 1.0 CD2 A:HIS181 4.9 12.4 1.0 CD A:GLU177 5.0 18.4 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