Chlorine in PDB 5d9e: Crystal Structure of the Proline-Rich Lasso Peptide Caulosegnin II

The structure of Crystal Structure of the Proline-Rich Lasso Peptide Caulosegnin II, PDB code: 5d9e was solved by C.D.Fage, J.D.Hegemann, K.Harms, M.A.Marahiel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 0.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	15.710, 19.312, 39.674, 90.00, 90.00, 90.00
R / Rfree (%)	9.8 / 10.7

The binding sites of Chlorine atom in the Crystal Structure of the Proline-Rich Lasso Peptide Caulosegnin II (pdb code 5d9e). 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 Proline-Rich Lasso Peptide Caulosegnin II, PDB code: 5d9e:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Proline-Rich Lasso Peptide Caulosegnin II


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 Proline-Rich Lasso Peptide Caulosegnin II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:7.0 occ:0.64 O A:HOH219 3.0 10.6 0.6 HG3 A:PRO8 3.0 8.2 0.5 NE2 A:HIS15 3.1 6.7 1.0 HB3 A:PRO8 3.3 8.4 0.5 O A:HOH221 3.6 34.4 1.0 HB3 A:PRO8 3.6 8.4 0.5 CG A:PRO8 3.9 6.8 0.5 O A:HOH218 3.9 16.1 1.0 CE1 A:HIS15 4.0 6.8 1.0 CD2 A:HIS15 4.0 6.1 1.0 HG2 A:PRO8 4.1 8.2 0.5 HD2 A:HIS15 4.1 7.3 1.0 HE1 A:HIS15 4.1 8.2 1.0 CB A:PRO8 4.2 7.0 1.0 HG3 A:PRO8 4.4 8.5 0.5 HD3 A:PRO8 4.5 8.4 0.5 O A:HOH212 4.7 12.7 1.0 HA A:PRO8 4.7 6.8 1.0 HB2 A:PRO8 4.7 8.4 0.5 CG A:PRO8 4.8 7.0 0.5 HB2 A:PRO8 5.0 8.4 0.5

J.D.Hegemann, C.D.Fage, S.Zhu, K.Harms, F.S.Di Leva, E.Novellino, L.Marinelli, M.A.Marahiel. The Ring Residue Proline 8 Is Crucial For the Thermal Stability of the Lasso Peptide Caulosegnin II. Mol Biosyst V. 12 1106 2016.
ISSN: ESSN 1742-2051
PubMed: 26863937
DOI: 10.1039/C6MB00081A