Chlorine in PDB 7mwn: An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant

The structure of An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant, PDB code: 7mwn was solved by F.C.Peterson, J.Beltran, M.Bedewitz, P.J.Steiner, S.R.Cutler, T.A.Whitehead, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.61 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.326, 69.226, 142.817, 90, 90, 90
R / Rfree (%)	18.5 / 21.1

The structure of An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant (pdb code 7mwn). 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 An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant, PDB code: 7mwn:

Chlorine binding site 1 out of 1 in the An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of An Engineered PYL2-Based Win 55,212-2 Synthetic Cannabinoid Sensor with A Stabilized HAB1 Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:47.6 occ:1.00 NH2 B:ARG450 3.2 49.3 1.0 O B:HOH749 3.2 51.9 1.0 NE B:ARG449 3.3 61.8 1.0 CD B:ARG449 3.3 53.2 1.0 NE B:ARG450 3.6 49.7 1.0 CG1 B:ILE446 3.8 45.7 1.0 CZ B:ARG450 3.8 46.2 1.0 CA B:ILE446 4.1 44.3 1.0 CG2 B:ILE446 4.2 41.9 1.0 CB B:ARG449 4.2 43.0 1.0 CB B:ILE446 4.2 43.4 1.0 CG B:ARG449 4.3 51.0 1.0 CZ B:ARG449 4.3 65.8 1.0 CE2 B:TYR480 4.5 44.2 1.0 OH B:TYR480 4.5 47.2 1.0 O B:ILE446 4.6 43.6 1.0 NH2 B:ARG449 4.8 68.8 1.0 CZ B:TYR480 4.8 49.4 1.0 CD1 B:ILE446 4.8 48.9 1.0 CD B:ARG450 4.8 44.1 1.0 C B:ILE446 4.9 42.4 1.0 CG B:ARG450 5.0 45.0 1.0

J.Beltran, P.J.Steiner, M.Bedewitz, S.Wei, F.C.Peterson, Z.Li, B.E.Hughes, Z.Hartley, N.R.Robertson, A.V.Medina-Cucurella, Z.T.Baumer, A.C.Leonard, S.Y.Park, B.F.Volkman, D.A.Nusinow, W.Zhong, I.Wheeldon, S.R.Cutler, T.A.Whitehead. Rapid Biosensor Development Using Plant Hormone Receptors As Reprogrammable Scaffolds. Nat.Biotechnol. V. 40 1855 2022.
ISSN: ISSN 1087-0156
PubMed: 35726092
DOI: 10.1038/S41587-022-01364-5