Chlorine in PDB 3tg6: Crystal Structure of Influenza A Virus Nucleoprotein with Ligand

The structure of Crystal Structure of Influenza A Virus Nucleoprotein with Ligand, PDB code: 3tg6 was solved by B.C.Pearce, H.A.Lewis, P.A.Mcdonnell, S.Steinbacher, R.Kiefersauer, M.Mortl, K.Maskos, S.Edavettal, E.T.Baldwin, D.R.Langley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.24 / 3.00
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	146.692, 146.692, 146.692, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 29.6

The binding sites of Chlorine atom in the Crystal Structure of Influenza A Virus Nucleoprotein with Ligand (pdb code 3tg6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Influenza A Virus Nucleoprotein with Ligand, PDB code: 3tg6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Influenza A Virus Nucleoprotein with Ligand


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 Influenza A Virus Nucleoprotein with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:55.2 occ:1.00 CL30 A:0MM1 0.0 55.2 1.0 C11 A:0MM1 1.7 55.2 1.0 C5 A:0MM1 2.6 54.9 1.0 C9 A:0MM1 2.7 55.2 1.0 N23 A:0MM1 3.1 55.0 1.0 C16 A:0MM1 3.2 54.7 1.0 OH B:TYR52 3.3 46.6 1.0 CD1 A:TYR289 3.8 45.4 1.0 CD1 A:LEU306 3.8 44.5 1.0 CZ B:TYR52 3.8 46.2 1.0 CB A:ASN309 3.8 49.2 1.0 C10 A:0MM1 3.9 55.0 1.0 C3 A:0MM1 4.0 55.1 1.0 CE1 A:TYR289 4.1 45.5 1.0 C18 A:0MM1 4.2 54.4 1.0 CG A:TYR289 4.2 46.1 1.0 CG A:ASN309 4.3 48.5 1.0 OD1 A:ASN309 4.4 48.7 1.0 CE1 B:TYR52 4.4 45.7 1.0 C17 A:0MM1 4.4 54.3 1.0 CE2 B:TYR52 4.5 46.3 1.0 C4 A:0MM1 4.5 54.9 1.0 CB A:TYR289 4.6 47.0 1.0 CA A:LEU306 4.7 45.8 1.0 CB A:ALA284 4.7 46.2 1.0 CZ A:TYR289 4.9 46.2 1.0 C19 A:0MM1 4.9 54.7 1.0 CD2 A:TYR289 5.0 45.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Influenza A Virus Nucleoprotein with Ligand


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 Influenza A Virus Nucleoprotein with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:59.4 occ:1.00 CL31 A:0MM1 0.0 59.4 1.0 C14 A:0MM1 1.7 57.7 1.0 N21 A:0MM1 2.6 57.0 1.0 C7 A:0MM1 2.7 56.8 1.0 C12 A:0MM1 3.1 56.2 1.0 C15 A:0MM1 3.2 54.9 1.0 CD B:ARG99 3.2 59.7 1.0 C8 A:0MM1 3.3 55.8 1.0 O27 A:0MM1 3.4 54.6 1.0 NE B:ARG99 3.5 61.2 1.0 N24 A:0MM1 3.7 54.6 1.0 OG B:SER376 3.7 58.3 1.0 C6 A:0MM1 3.9 56.7 1.0 C2 A:0MM1 4.0 57.6 1.0 CZ B:ARG99 4.0 62.3 1.0 CZ2 B:TRP104 4.1 62.5 1.0 N22 A:0MM1 4.1 56.4 1.0 C18 A:0MM1 4.3 54.4 1.0 NH1 B:ARG99 4.3 63.0 1.0 NE1 B:TRP104 4.4 62.3 1.0 C13 A:0MM1 4.4 55.9 1.0 C17 A:0MM1 4.5 54.3 1.0 C1 A:0MM1 4.5 57.5 1.0 C19 A:0MM1 4.5 54.7 1.0 CE2 B:TRP104 4.5 62.5 1.0 C16 A:0MM1 4.6 54.7 1.0 CG B:ARG99 4.7 59.2 1.0 O29 A:0MM1 4.8 56.0 1.0 NH2 B:ARG99 4.8 62.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Influenza A Virus Nucleoprotein with Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Influenza A Virus Nucleoprotein with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:63.9 occ:1.00 CL30 B:0MM1 0.0 63.9 1.0 C11 B:0MM1 1.7 63.3 1.0 C5 B:0MM1 2.7 63.1 1.0 C9 B:0MM1 2.7 63.0 1.0 OH A:TYR52 2.8 50.3 1.0 N23 B:0MM1 3.1 62.6 1.0 C16 B:0MM1 3.2 61.9 1.0 CZ A:TYR52 3.4 50.0 1.0 CD1 B:TYR289 3.5 52.5 1.0 CD1 B:LEU306 3.8 51.5 1.0 CE2 A:TYR52 3.9 49.9 1.0 CG B:TYR289 4.0 52.8 1.0 C10 B:0MM1 4.0 63.3 1.0 CB B:ASN309 4.0 52.3 1.0 C3 B:0MM1 4.0 63.3 1.0 CE1 B:TYR289 4.1 52.2 1.0 C18 B:0MM1 4.2 61.4 1.0 CB B:TYR289 4.2 53.3 1.0 CE1 A:TYR52 4.3 49.5 1.0 C17 B:0MM1 4.4 62.1 1.0 C4 B:0MM1 4.5 63.3 1.0 CB B:ALA284 4.5 52.2 1.0 CG B:ASN309 4.5 52.5 1.0 ND2 B:ASN309 4.7 52.5 1.0 CD2 B:TYR289 4.9 52.4 1.0 CA B:LEU306 4.9 52.0 1.0 CZ B:TYR289 5.0 52.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Influenza A Virus Nucleoprotein with Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Influenza A Virus Nucleoprotein with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:65.2 occ:1.00 CL31 B:0MM1 0.0 65.2 1.0 C14 B:0MM1 1.7 63.6 1.0 N21 B:0MM1 2.6 63.5 1.0 C7 B:0MM1 2.7 62.9 1.0 C12 B:0MM1 3.1 62.3 1.0 C15 B:0MM1 3.1 61.7 1.0 C8 B:0MM1 3.2 61.9 1.0 O27 B:0MM1 3.4 61.0 1.0 N24 B:0MM1 3.6 61.7 1.0 NE A:ARG99 3.7 63.6 1.0 CZ A:ARG99 3.8 63.3 1.0 C6 B:0MM1 3.8 63.3 1.0 CD A:ARG99 3.9 64.4 1.0 C2 B:0MM1 4.0 64.0 1.0 NH2 A:ARG99 4.1 62.9 1.0 C18 B:0MM1 4.1 61.4 1.0 N22 B:0MM1 4.2 62.2 1.0 C16 B:0MM1 4.3 61.9 1.0 C17 B:0MM1 4.3 62.1 1.0 C19 B:0MM1 4.3 61.9 1.0 NH1 A:ARG99 4.3 63.4 1.0 C13 B:0MM1 4.4 61.8 1.0 C1 B:0MM1 4.4 64.2 1.0 CZ2 A:TRP104 4.6 69.0 1.0 CG A:ARG99 4.7 65.4 1.0 N23 B:0MM1 4.8 62.6 1.0 O29 B:0MM1 4.8 61.5 1.0 NE1 A:TRP104 4.9 69.1 1.0 CB A:SER376 4.9 64.4 1.0

S.C.Edavettal, B.C.Pearce, H.A.Lewis, L.Schneeweis, C.Deminie, L.Discotto, B.Carpenter, J.Yanchunas, D.R.Langley, W.Metzler, M.Gao, M.A.Poss, K.Maskos, M.Mortl, R.Keifersauer, S.Steinbacher, M.Healy, T.Phillip, M.Zoeckler, R.Schartman, B.Mcauliffe, B.F.Minassian, S.Shi, S.Zhu, A.Pendri, G.Li, M.Sinz, N.A.Meanwell, M.Krystal, S.W.Gerritz, C.Cianci, B.T.Baldwin, J.W.Bryson, P.A.Mcdonnell. Biophysical and Structural Characterization of A Novel Class of Influenza Virus Inhibitors To Be Published.