Chlorine in PDB 8flm: Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53

The structure of Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53 also contains other interesting chemical elements:

Fluorine

(F)

8 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53 (pdb code 8flm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53, PDB code: 8flm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:80.1 occ:1.00 CL1 B:9IM402 0.0 80.1 1.0 C14 B:9IM402 1.8 51.5 1.0 HH B:TYR106 1.9 69.5 1.0 OH B:TYR106 2.5 92.0 1.0 C13 B:9IM402 2.7 53.2 1.0 C08 B:9IM402 2.8 44.9 1.0 H131 B:9IM402 2.8 53.3 1.0 H071 B:9IM402 2.8 52.8 1.0 HE1 B:TYR106 3.0 67.9 1.0 C07 B:9IM402 3.1 47.9 1.0 CZ B:TYR106 3.3 78.1 1.0 N06 B:9IM402 3.3 48.6 1.0 CE1 B:TYR106 3.4 71.6 1.0 C04 B:9IM402 3.7 48.9 1.0 O05 B:9IM402 3.7 51.2 1.0 H031 B:9IM402 3.8 52.8 1.0 H072 B:9IM402 4.0 53.3 1.0 SD B:MET120 4.0 86.7 1.0 C12 B:9IM402 4.0 53.5 1.0 C09 B:9IM402 4.0 51.1 1.0 HB3 B:LEU49 4.1 53.9 1.0 HB3 B:MET120 4.2 67.0 1.0 C16 B:9IM402 4.2 59.8 1.0 CE2 B:TYR106 4.4 72.2 1.0 HG3 B:MET120 4.4 67.3 1.0 HD22 B:LEU49 4.5 52.1 1.0 HD13 B:LEU49 4.5 54.4 1.0 C11 B:9IM402 4.5 46.8 1.0 C03 B:9IM402 4.6 58.1 1.0 C02 B:9IM402 4.6 51.1 1.0 CD1 B:TYR106 4.6 63.1 1.0 CG B:MET120 4.7 76.2 1.0 HE2 B:TYR106 4.7 67.7 1.0 H121 B:9IM402 4.8 54.1 1.0 HE3 B:MET120 4.8 67.3 1.0 H032 B:9IM402 4.8 54.7 1.0 CB B:MET120 4.9 62.4 1.0 H171 B:9IM402 4.9 53.5 1.0 C34 B:9IM402 4.9 57.1 1.0 C17 B:9IM402 4.9 60.1 1.0 HB3 B:SER53 5.0 51.1 1.0

Chlorine binding site 2 out of 2 in the Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of Sting Oligomer Bound to Cgamp, Nvs-STG2 and C53 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:80.5 occ:1.00 CL1 C:9IM402 0.0 80.5 1.0 C14 C:9IM402 1.8 50.7 1.0 HH D:TYR106 1.9 70.1 1.0 OH D:TYR106 2.4 92.3 1.0 C13 C:9IM402 2.7 53.1 1.0 C08 C:9IM402 2.8 42.6 1.0 H131 C:9IM402 2.8 52.3 1.0 H071 C:9IM402 2.9 51.6 1.0 C07 C:9IM402 3.1 46.4 1.0 CZ D:TYR106 3.2 78.2 1.0 N06 C:9IM402 3.3 48.5 1.0 HE1 D:TYR106 3.3 68.1 1.0 C04 C:9IM402 3.5 46.4 1.0 O05 C:9IM402 3.5 46.1 1.0 CE1 D:TYR106 3.6 72.2 1.0 H031 C:9IM402 3.7 52.0 1.0 SD D:MET120 4.0 87.0 1.0 H072 C:9IM402 4.0 52.2 1.0 C12 C:9IM402 4.0 53.0 1.0 HB3 D:MET120 4.0 69.0 1.0 C09 C:9IM402 4.0 49.6 1.0 C16 C:9IM402 4.2 59.6 1.0 HB3 D:LEU49 4.3 54.1 1.0 CE2 D:TYR106 4.3 74.3 1.0 C03 C:9IM402 4.4 57.1 1.0 C02 C:9IM402 4.4 47.7 1.0 HG3 D:MET120 4.4 69.6 1.0 HE2 D:TYR106 4.5 68.7 1.0 C11 C:9IM402 4.5 45.7 1.0 HD22 D:LEU49 4.6 52.4 1.0 H032 C:9IM402 4.6 53.7 1.0 HD13 D:LEU49 4.6 54.4 1.0 CG D:MET120 4.7 80.0 1.0 H121 C:9IM402 4.8 52.8 1.0 CB D:MET120 4.8 64.7 1.0 C34 C:9IM402 4.8 54.6 1.0 CD1 D:TYR106 4.8 65.7 1.0 HE3 D:MET120 4.9 69.2 1.0 H171 C:9IM402 4.9 52.7 1.0 C17 C:9IM402 4.9 59.9 1.0 HB3 D:SER53 4.9 50.9 1.0

J.Li, S.M.Canham, H.Wu, M.Henault, L.Chen, G.Liu, Y.Chen, G.Yu, H.R.Miller, V.Hornak, S.M.Brittain, G.A.Michaud, A.Tutter, W.Broom, M.E.Digan, S.M.Mcwhirter, K.E.Sivick, H.T.Pham, C.H.Chen, G.S.Tria, J.M.Mckenna, M.Schirle, X.Mao, T.B.Nicholson, Y.Wang, J.L.Jenkins, R.K.Jain, J.A.Tallarico, S.J.Patel, L.Zheng, N.T.Ross, C.Y.Cho, X.Zhang, X.C.Bai, Y.Feng. Activation of Human Sting By A Molecular Glue-Like Compound. Nat.Chem.Biol. 2023.
ISSN: ESSN 1552-4469
PubMed: 37828400
DOI: 10.1038/S41589-023-01434-Y