Chlorine in PDB 8z39: Crystal Structure of Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals

The structure of Crystal Structure of Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals, PDB code: 8z39 was solved by J.M.M.Caaveiro, I.Kaneda, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.65 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.519, 70.005, 119.974, 90, 109.24, 90
R / Rfree (%)	18 / 20.8

The structure of Crystal Structure of Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals (pdb code 8z39). 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 Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals, PDB code: 8z39:

Chlorine binding site 1 out of 1 in the Crystal Structure of Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals


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 Sonic Hedgehog in Complex with Antibody 5E1 Mutant L-T56A with Metals within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:43.0 occ:0.60 O4 A:SO4405 0.8 22.1 0.4 S A:SO4405 1.7 22.7 0.4 O3 A:SO4405 2.1 22.2 0.4 O2 A:SO4405 2.7 22.1 0.4 O1 A:SO4405 2.7 21.2 0.4 OG A:SER138 2.9 30.3 1.0 O A:HOH551 3.0 35.4 1.0 OG A:SER135 3.3 45.7 1.0 CE1 A:HIS182 3.4 25.0 1.0 O A:HOH506 3.6 15.7 0.6 CD2 A:HIS140 3.6 26.0 1.0 CB A:SER138 3.7 33.8 1.0 ND1 A:HIS182 3.8 22.7 1.0 ZN A:ZN403 4.0 25.4 1.0 NE2 A:HIS140 4.1 24.0 1.0 CA A:SER138 4.1 35.6 1.0 NE2 A:HIS182 4.2 24.1 1.0 O A:HOH504 4.3 33.7 0.6 CB A:HIS134 4.3 38.8 1.0 ND1 A:HIS134 4.4 36.9 1.0 N A:SER135 4.4 43.3 1.0 CB A:SER135 4.5 46.2 1.0 N A:LEU139 4.7 33.6 1.0 CG A:HIS134 4.7 37.0 1.0 CG A:HIS182 4.8 22.3 1.0 CG A:HIS140 4.9 25.9 1.0 OE2 A:GLU176 4.9 37.2 1.0 OE1 A:GLU53 4.9 33.1 1.0 C A:SER138 4.9 35.1 1.0

I.Kaneda, R.Matsunaga, S.Nagatoishi, A.Senoo, J.M.M.Caaveiro, D.Kuroda, K.Tsumoto. Biophysical Insights to Improve Affinity of Antibodies to Fluctuated Epitope of Antigen: A Case of Anti-Shh Antibody 5E1 Against Shh Antigen. To Be Published.