Chlorine in PDB 4dyp: Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound

The structure of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound, PDB code: 4dyp 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)	48.85 / 2.82
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	146.550, 146.550, 146.550, 90.00, 90.00, 90.00
R / Rfree (%)	25.4 / 29.4

The structure of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 Ligand Bound (pdb code 4dyp). 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-831780 Ligand Bound, PDB code: 4dyp:
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-831780 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-831780 Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:49.9 occ:1.00 CL2 A:0MS601 0.0 49.9 1.0 C10 A:0MS601 1.7 49.2 1.0 C4 A:0MS601 2.7 48.6 1.0 C7 A:0MS601 2.7 48.8 1.0 C15 A:0MS601 3.1 48.0 1.0 C12 A:0MS601 3.1 48.6 1.0 O26 A:0MS601 3.2 48.6 1.0 CD B:ARG99 3.2 50.2 1.0 C8 A:0MS601 3.2 48.2 1.0 NE B:ARG99 3.4 51.3 1.0 OG B:SER376 3.5 51.6 1.0 N25 A:0MS601 3.7 47.7 1.0 CZ B:ARG99 3.8 51.7 1.0 CZ2 B:TRP104 3.9 49.2 1.0 C2 A:0MS601 4.0 48.8 1.0 NE1 B:TRP104 4.0 49.0 1.0 C3 A:0MS601 4.0 48.9 1.0 NH1 B:ARG99 4.1 52.3 1.0 N23 A:0MS601 4.2 49.0 1.0 CE2 B:TRP104 4.2 49.2 1.0 C13 A:0MS601 4.3 48.2 1.0 C18 A:0MS601 4.4 47.4 1.0 C19 A:0MS601 4.4 47.7 1.0 C1 A:0MS601 4.5 48.8 1.0 C17 A:0MS601 4.5 47.5 1.0 NH2 B:ARG99 4.5 51.9 1.0 C16 A:0MS601 4.6 47.7 1.0 CG B:ARG99 4.7 49.9 1.0 O27 A:0MS601 4.8 48.7 1.0 CB B:SER376 4.9 51.6 1.0 CH2 B:TRP104 4.9 48.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-831780 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-831780 Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:54.8 occ:1.00 CL2 B:0MS601 0.0 54.8 1.0 C10 B:0MS601 1.7 54.1 1.0 C4 B:0MS601 2.7 53.8 1.0 C7 B:0MS601 2.7 53.7 1.0 C12 B:0MS601 3.1 53.6 1.0 C15 B:0MS601 3.2 54.5 1.0 C8 B:0MS601 3.3 54.0 1.0 O26 B:0MS601 3.3 54.5 1.0 OG A:SER376 3.5 59.1 1.0 NE A:ARG99 3.5 55.7 1.0 CZ A:ARG99 3.6 55.8 1.0 CD A:ARG99 3.7 56.4 1.0 N25 B:0MS601 3.8 55.1 1.0 CZ2 A:TRP104 3.9 60.1 1.0 NH2 A:ARG99 3.9 55.9 1.0 C2 B:0MS601 4.0 54.1 1.0 NE1 A:TRP104 4.0 60.1 1.0 C3 B:0MS601 4.0 54.2 1.0 NH1 A:ARG99 4.1 56.0 1.0 N23 B:0MS601 4.1 53.8 1.0 CE2 A:TRP104 4.2 60.1 1.0 C13 B:0MS601 4.4 53.5 1.0 C18 B:0MS601 4.4 55.3 1.0 C1 B:0MS601 4.5 54.2 1.0 C19 B:0MS601 4.5 55.6 1.0 C17 B:0MS601 4.5 55.8 1.0 CG A:ARG99 4.6 57.3 1.0 C16 B:0MS601 4.6 55.8 1.0 CB A:SER376 4.8 58.8 1.0 O27 B:0MS601 4.8 53.3 1.0 CH2 A:TRP104 5.0 60.3 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.