Chlorine in PDB 3rdb: Human Cyclophilin D Complexed with A Fragment

All present enzymatic activity of Human Cyclophilin D Complexed with A Fragment:
5.2.1.8;

The structure of Human Cyclophilin D Complexed with A Fragment, PDB code: 3rdb was solved by L.Colliandre, H.Ahmed-Belkacem, Y.Bessin, J.M.Pawlotsky, J.F.Guichou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.92 / 1.55
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.154, 57.154, 87.238, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 18.2

The binding sites of Chlorine atom in the Human Cyclophilin D Complexed with A Fragment (pdb code 3rdb). 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 Human Cyclophilin D Complexed with A Fragment, PDB code: 3rdb:

Chlorine binding site 1 out of 1 in the Human Cyclophilin D Complexed with A Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Cyclophilin D Complexed with A Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:15.9 occ:0.75 CLAB A:5MZ208 0.0 15.9 0.8 CAG A:5MZ208 1.8 11.8 0.8 O A:HOH431 2.2 13.0 0.2 CAM A:5MZ208 2.8 12.0 0.8 NAI A:5MZ208 3.1 11.6 0.8 NH2 A:ARG124 3.4 14.2 1.0 O A:HOH233 3.7 11.4 1.0 OAJ A:5MZ208 4.0 10.9 0.8 O A:HOH248 4.1 23.1 1.0 O A:THR115 4.2 8.0 1.0 CZ A:ARG124 4.3 12.7 1.0 O A:HOH431 4.4 12.1 0.5 O A:HOH255 4.4 14.8 1.0 CAN A:5MZ208 4.4 13.1 0.8 NE A:ARG124 4.6 10.9 1.0 O A:HOH535 4.6 15.2 0.4 NAH A:5MZ208 4.9 13.0 0.8

A.Ahmed-Belkacem, L.Colliandre, N.Ahnou, Q.Nevers, M.Gelin, Y.Bessin, R.Brillet, O.Cala, D.Douguet, W.Bourguet, I.Krimm, J.M.Pawlotsky, J.F.Guichou. Fragment-Based Discovery of A New Family of Non-Peptidic Small-Molecule Cyclophilin Inhibitors with Potent Antiviral Activities. Nat Commun V. 7 12777 2016.
ISSN: ESSN 2041-1723
PubMed: 27652979
DOI: 10.1038/NCOMMS12777