Chlorine in PDB 6ix3: The Structure of Lepi Complex with Sam

The structure of The Structure of Lepi Complex with Sam, PDB code: 6ix3 was solved by Y.Cai, M.Ohashi, Y.Hai, Y.Tang, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.96 / 2.13
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.301, 61.792, 113.318, 90.00, 113.55, 90.00
R / Rfree (%)	17.6 / 21.1

The binding sites of Chlorine atom in the The Structure of Lepi Complex with Sam (pdb code 6ix3). 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 The Structure of Lepi Complex with Sam, PDB code: 6ix3:

Chlorine binding site 1 out of 1 in the The Structure of Lepi Complex with Sam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Lepi Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:34.2 occ:1.00 N A:ASN243 3.2 25.6 1.0 CA A:TYR241 3.4 19.4 1.0 O A:HOH696 3.4 22.9 1.0 C A:TYR241 3.4 22.6 1.0 N A:GLN244 3.5 27.6 1.0 CB A:ASN243 3.6 35.8 1.0 N A:PRO242 3.7 21.7 1.0 CA A:ASN243 3.7 30.8 1.0 CB A:TYR241 3.7 17.2 1.0 CG A:GLN244 3.8 31.0 1.0 CD A:PRO242 3.8 22.3 1.0 C A:ASN243 3.9 33.7 1.0 O A:TYR241 3.9 19.4 1.0 CD1 A:TYR241 4.1 22.5 1.0 C A:PRO242 4.3 24.5 1.0 CB A:GLN244 4.4 25.6 1.0 CG A:ASN243 4.4 38.6 1.0 CA A:GLN244 4.4 26.7 1.0 CG A:TYR241 4.4 16.7 1.0 CA A:PRO242 4.5 21.1 1.0 CG A:PRO242 4.6 26.2 1.0 N A:TYR241 4.7 20.5 1.0 O A:LYS240 4.7 23.0 1.0 CD A:GLN244 4.8 30.5 1.0 ND2 A:ASN243 4.8 37.6 1.0 O A:ASN243 4.8 31.6 1.0 OE1 A:GLN244 4.9 37.3 1.0

Y.Cai, Y.Hai, M.Ohashi, C.S.Jamieson, M.Garcia-Borras, K.N.Houk, J.Zhou, Y.Tang. Structural Basis For Stereoselective Dehydration and Hydrogen-Bonding Catalysis By the Sam-Dependent Pericyclase Lepi. Nat.Chem. V. 11 812 2019.
ISSN: ESSN 1755-4349
PubMed: 31332284
DOI: 10.1038/S41557-019-0294-X