Chlorine in PDB 7lun: Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980

The structure of Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980, PDB code: 7lun was solved by B.W.Dorsey, K.K.Swinger, L.B.Schenkel, W.D.Church, N.R.Perl, M.M.Vasbinder, T.J.Wigle, K.W.Kuntz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.53 / 2.57
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.99, 153.66, 87.46, 90, 108.7, 90
R / Rfree (%)	23.2 / 27.8

The structure of Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980 also contains other interesting chemical elements:

Fluorine

(F)

8 atoms

The binding sites of Chlorine atom in the Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980 (pdb code 7lun). 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 PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980, PDB code: 7lun:

Chlorine binding site 1 out of 1 in the Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1902 b:56.3 occ:1.00 NE2 F:GLN1652 3.7 53.7 1.0 CB F:GLN1652 4.0 41.7 1.0 C1 F:GOL1902 4.1 44.8 1.0 CD F:GLN1652 4.3 51.5 1.0 CG E:TRP1657 4.3 39.6 1.0 CB E:GLN1652 4.3 30.9 1.0 CB E:TRP1657 4.3 39.7 1.0 CA E:GLN1652 4.4 30.1 1.0 CA E:PRO1654 4.4 40.4 1.0 N E:PRO1654 4.4 40.7 1.0 CD1 E:TRP1657 4.4 36.9 1.0 N E:ASN1653 4.6 29.1 1.0 O E:HOH2051 4.6 29.8 1.0 CG F:PRO1654 4.6 40.3 1.0 C E:GLN1652 4.7 30.8 1.0 CG F:GLN1652 4.7 46.1 1.0 OH E:TYR1792 4.7 35.1 1.0 C E:ASN1653 4.7 34.0 1.0 CD E:PRO1654 4.7 39.7 1.0 O1 F:GOL1902 4.8 39.6 1.0 CG E:PRO1654 4.8 41.0 1.0 CD2 E:TRP1657 4.8 37.7 1.0 CG E:GLN1652 4.9 34.0 1.0 OE1 F:GLN1652 4.9 46.7 1.0 O E:ASN1653 4.9 35.0 1.0

T.Wigle, Y.Ren, J.R.Molina, D.J.Blackwell, L.B.Schenkel, K.K.Swinger, K.Kuplast-Barr, C.R.Majer, W.D.Church, A.Z.Lu, J.Mo, R.Abo, A.Cheung, B.W.Dorsey, M.Niepel, N.R.Perl, M.M.Vasbinder, H.Keilhack, K.W.Kuntz. Targeted Degradation of PARP14 Using A Heterobifunctional Small Molecule. Chembiochem 2021.
ISSN: ESSN 1439-7633
PubMed: 33838082
DOI: 10.1002/CBIC.202100047