Chlorine in PDB 1eah: PV2L Complexed with Antiviral Agent SCH48973

The structure of PV2L Complexed with Antiviral Agent SCH48973, PDB code: 1eah was solved by K.Lentz, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.90
Space group	C 2 2 21 2
Cell size a, b, c (Å), α, β, γ (°)	345.700, 497.200, 485.900, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / n/a

The binding sites of Chlorine atom in the PV2L Complexed with Antiviral Agent SCH48973 (pdb code 1eah). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the PV2L Complexed with Antiviral Agent SCH48973, PDB code: 1eah:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the PV2L Complexed with Antiviral Agent SCH48973


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PV2L Complexed with Antiviral Agent SCH48973 within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl999 b:5.3 occ:1.00 CL1 1:SC4999 0.0 5.3 1.0 C4 1:SC4999 1.8 5.0 1.0 C5 1:SC4999 2.8 5.4 1.0 C3 1:SC4999 2.8 6.4 1.0 O1 1:SC4999 3.1 7.5 1.0 C6 1:SC4999 4.1 5.2 1.0 C2 1:SC4999 4.1 5.2 1.0 O 1:THR111 4.2 13.0 1.0 CZ 1:PHE134 4.2 8.0 1.0 C 1:THR111 4.2 11.7 1.0 CG2 1:ILE110 4.3 8.0 1.0 SD 1:MET132 4.3 12.2 1.0 CB 1:TYR112 4.3 10.9 1.0 N 1:TYR112 4.4 11.2 1.0 C7 1:SC4999 4.5 6.8 1.0 C13 1:SC4999 4.5 9.6 1.0 CE2 1:PHE134 4.6 8.2 1.0 C1 1:SC4999 4.6 5.1 1.0 SD 1:MET261 4.7 19.8 1.0 CA 1:TYR112 4.7 11.6 1.0 CG 1:MET261 4.7 16.4 1.0 CA 1:THR111 4.8 11.5 1.0 N 1:THR111 4.9 10.8 1.0

Chlorine binding site 2 out of 3 in the PV2L Complexed with Antiviral Agent SCH48973


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PV2L Complexed with Antiviral Agent SCH48973 within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl999 b:5.3 occ:1.00 CL2 1:SC4999 0.0 5.3 1.0 C16 1:SC4999 1.8 5.2 1.0 C17 1:SC4999 2.7 5.2 1.0 C15 1:SC4999 2.8 5.6 1.0 O2 1:SC4999 3.1 5.7 1.0 C14 1:SC4999 3.3 7.6 1.0 CG1 3:ILE25 3.4 7.6 1.0 CB 3:ALA24 3.5 5.5 1.0 CD2 1:TYR159 3.6 8.1 1.0 CD1 3:ILE25 3.7 7.0 1.0 CG 1:TYR159 4.0 9.1 1.0 C18 1:SC4999 4.1 5.2 1.0 CG 1:PRO181 4.1 9.9 1.0 C20 1:SC4999 4.1 5.1 1.0 CE2 1:TYR159 4.2 6.7 1.0 CB 1:TYR159 4.2 8.2 1.0 CB 1:PRO181 4.3 9.1 1.0 C 3:ALA24 4.4 5.8 1.0 O 3:ALA24 4.4 6.6 1.0 CG2 1:VAL196 4.4 10.1 1.0 CA 3:ALA24 4.5 5.7 1.0 C11 1:SC4999 4.6 7.8 1.0 C19 1:SC4999 4.6 5.1 1.0 N 3:ILE25 4.7 7.0 1.0 CB 3:ILE25 4.9 7.5 1.0 CD1 1:TYR159 4.9 8.3 1.0 CG1 1:VAL196 4.9 10.6 1.0 CD 1:PRO181 4.9 10.3 1.0

Chlorine binding site 3 out of 3 in the PV2L Complexed with Antiviral Agent SCH48973


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PV2L Complexed with Antiviral Agent SCH48973 within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl999 b:5.5 occ:1.00 CL3 1:SC4999 0.0 5.5 1.0 C20 1:SC4999 1.8 5.1 1.0 C19 1:SC4999 2.7 5.1 1.0 C15 1:SC4999 2.8 5.6 1.0 O2 1:SC4999 3.1 5.7 1.0 CG 1:PHE134 3.8 8.8 1.0 CD2 1:LEU240 3.8 7.0 1.0 CD2 1:PHE134 3.8 8.5 1.0 C14 1:SC4999 3.9 7.6 1.0 CD1 1:PHE134 3.9 8.6 1.0 CZ 1:PHE136 4.0 9.5 1.0 C12 1:SC4999 4.0 10.0 1.0 CD1 1:LEU240 4.0 6.4 1.0 CE2 1:PHE134 4.1 8.2 1.0 C18 1:SC4999 4.1 5.2 1.0 C16 1:SC4999 4.1 5.2 1.0 CE1 1:PHE134 4.2 9.2 1.0 CZ 1:PHE134 4.2 8.0 1.0 CB 1:PHE134 4.3 6.8 1.0 CG 1:LEU240 4.4 7.8 1.0 CE2 1:PHE136 4.4 10.1 1.0 C11 1:SC4999 4.5 7.8 1.0 CD1 1:ILE194 4.5 5.1 1.0 C17 1:SC4999 4.6 5.2 1.0

K.N.Lentz, A.D.Smith, S.C.Geisler, S.Cox, P.Buontempo, A.Skelton, J.Demartino, E.Rozhon, J.Schwartz, V.Girijavallabhan, J.O'connell, E.Arnold. Structure of Poliovirus Type 2 Lansing Complexed with Antiviral Agent SCH48973: Comparison of the Structural and Biological Properties of Three Poliovirus Serotypes. Structure V. 5 961 1997.
ISSN: ISSN 0969-2126
PubMed: 9261087
DOI: 10.1016/S0969-2126(97)00249-9