Chlorine in PDB 4dya: Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound

The structure of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound, PDB code: 4dya was solved by H.A.Lewis, E.T.Baldwin, S.Steinbacher, K.Maskos, M.Mortl, R.Kiefersauer, S.Edavettal, P.A.Mcdonnell, B.C.Pearce, D.R.Langley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.51 / 2.75
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	145.496, 145.496, 145.496, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 29.8

The binding sites of Chlorine atom in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound (pdb code 4dya). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound, PDB code: 4dya:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:35.1 occ:1.00 CL4 A:0MF601 0.0 35.1 1.0 C16 A:0MF601 1.7 35.1 1.0 C8 A:0MF601 2.7 35.1 1.0 C12 A:0MF601 2.7 35.1 1.0 OH B:TYR52 3.0 33.3 1.0 N29 A:0MF601 3.1 35.0 1.0 C23 A:0MF601 3.3 34.9 1.0 CZ B:TYR52 3.5 33.3 1.0 CB A:ASN309 3.7 35.8 1.0 CD1 A:LEU306 3.9 33.7 1.0 C14 A:0MF601 4.0 35.2 1.0 C7 A:0MF601 4.0 35.3 1.0 CE2 B:TYR52 4.1 33.8 1.0 C25 A:0MF601 4.1 35.0 1.0 CE1 B:TYR52 4.2 32.7 1.0 CD1 A:TYR289 4.2 37.4 1.0 CG A:ASN309 4.3 35.3 1.0 CG A:TYR289 4.3 37.5 1.0 OD1 A:ASN309 4.4 34.5 1.0 C22 A:0MF601 4.4 34.6 1.0 C13 A:0MF601 4.5 35.1 1.0 CE1 A:TYR289 4.6 37.4 1.0 CB A:TYR289 4.7 37.6 1.0 CB A:ALA284 4.7 33.5 1.0 CA A:LEU306 4.8 34.9 1.0 CD2 A:TYR289 4.9 37.6 1.0 O A:LEU306 4.9 35.1 1.0 O A:ASN309 4.9 36.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:43.3 occ:1.00 CL4 B:0MF601 0.0 43.3 1.0 C16 B:0MF601 1.7 43.3 1.0 C8 B:0MF601 2.7 43.3 1.0 C12 B:0MF601 2.7 43.1 1.0 OH A:TYR52 2.8 39.1 1.0 N29 B:0MF601 3.0 43.0 1.0 C23 B:0MF601 3.2 41.7 1.0 CZ A:TYR52 3.3 38.9 1.0 CB B:ASN309 3.7 39.2 1.0 CD1 B:TYR289 3.8 42.6 1.0 C14 B:0MF601 4.0 43.4 1.0 CE1 A:TYR52 4.0 38.2 1.0 CE2 A:TYR52 4.0 39.0 1.0 C7 B:0MF601 4.0 43.3 1.0 C25 B:0MF601 4.0 40.2 1.0 CD1 B:LEU306 4.0 39.5 1.0 CG B:TYR289 4.2 42.9 1.0 CE1 B:TYR289 4.3 42.9 1.0 CG B:ASN309 4.3 38.9 1.0 C22 B:0MF601 4.4 41.5 1.0 CB B:TYR289 4.5 43.1 1.0 C13 B:0MF601 4.5 43.4 1.0 CB B:ALA284 4.5 40.1 1.0 ND2 B:ASN309 4.5 38.8 1.0 O B:ASN309 4.8 39.3 1.0 CA B:LEU306 4.9 40.2 1.0 C24 B:0MF601 4.9 40.3 1.0 CD2 A:TYR52 5.0 38.9 1.0 CD1 A:TYR52 5.0 38.7 1.0 CD2 B:TYR289 5.0 42.8 1.0

H.A.Lewis, E.T.Baldwin, S.Steinbacher, K.Maskos, M.Mortl, R.Kiefersauer, S.Edavettal, P.A.Mcdonnell, B.C.Pearce, D.R.Langley. To Be Determined To Be Published.