Chlorine in PDB 5if5: Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol

The structure of Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol, PDB code: 5if5 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.44 / 2.25
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.430, 68.430, 395.680, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol (pdb code 5if5). 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 Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol, PDB code: 5if5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol


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 Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:91.4 occ:0.50 CL1 A:6B0805 0.0 91.4 0.5 C02 A:6B0805 0.3 91.4 0.5 O01 A:6B0805 1.2 88.8 0.5 C03 A:6B0805 1.7 92.1 0.5 C07 A:6B0805 1.8 92.1 0.5 C04 A:6B0805 2.5 90.4 0.5 C06 A:6B0805 2.7 90.2 0.5 C09 A:6B0805 2.8 92.8 0.5 C09 A:6B0805 2.8 92.7 0.5 CL2 A:6B0805 3.3 98.7 0.5 CL2 A:6B0805 3.4 98.7 0.5 CD1 A:TRP317 3.5 48.2 1.0 C05 A:6B0805 3.8 89.0 0.5 CG A:TRP317 3.9 44.3 1.0 C07 A:6B0805 4.0 89.2 0.5 C05 A:6B0805 4.0 89.5 0.5 C03 A:6B0805 4.1 89.2 0.5 CB A:TRP317 4.1 40.9 1.0 O1 A:EDO802 4.1 70.4 1.0 NE1 A:TRP317 4.2 49.9 1.0 C06 A:6B0805 4.4 89.2 0.5 C04 A:6B0805 4.6 89.3 0.5 CD2 A:TRP317 4.7 39.1 1.0 O A:HOH1012 4.8 57.0 1.0 CE2 A:TRP317 4.9 40.9 1.0 CD2 A:LEU342 5.0 40.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol


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 Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:86.0 occ:0.50 CL1 A:6B0805 0.0 86.0 0.5 C02 A:6B0805 0.4 86.9 0.5 O01 A:6B0805 1.1 86.3 0.5 C03 A:6B0805 1.7 89.2 0.5 C07 A:6B0805 1.8 89.2 0.5 C04 A:6B0805 2.7 89.3 0.5 C09 A:6B0805 2.7 92.7 0.5 C06 A:6B0805 2.7 89.2 0.5 C09 A:6B0805 2.8 92.8 0.5 CL2 A:6B0805 3.2 98.7 0.5 CL2 A:6B0805 3.2 98.7 0.5 OE1 A:GLU349 3.7 87.5 1.0 CB A:MET311 3.8 41.8 1.0 C05 A:6B0805 4.0 89.5 0.5 C07 A:6B0805 4.0 92.1 0.5 C05 A:6B0805 4.0 89.0 0.5 C03 A:6B0805 4.1 92.1 0.5 CB A:LEU345 4.2 32.5 1.0 CD A:GLU349 4.4 85.6 1.0 CG A:MET311 4.4 41.2 1.0 C06 A:6B0805 4.5 90.2 0.5 CE A:MET311 4.5 37.5 1.0 CG A:GLU349 4.5 76.9 1.0 C04 A:6B0805 4.6 90.4 0.5 CD1 A:LEU345 4.6 33.0 1.0 CG2 A:ILE308 4.8 47.6 1.0 O A:LEU345 4.9 40.6 1.0 C A:LEU345 4.9 42.2 1.0 O A:ILE308 4.9 42.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol


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 Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:98.7 occ:0.50 CL2 A:6B0805 0.0 98.7 0.5 CL2 A:6B0805 0.2 98.7 0.5 C09 A:6B0805 1.7 92.8 0.5 C09 A:6B0805 1.8 92.7 0.5 C03 A:6B0805 2.7 92.1 0.5 C07 A:6B0805 2.7 89.2 0.5 C03 A:6B0805 2.7 89.2 0.5 C07 A:6B0805 2.8 92.1 0.5 C02 A:6B0805 3.0 91.4 0.5 C02 A:6B0805 3.0 86.9 0.5 O01 A:6B0805 3.1 86.3 0.5 CL1 A:6B0805 3.2 86.0 0.5 CL1 A:6B0805 3.3 91.4 0.5 NE1 A:TRP317 3.4 49.9 1.0 CD1 A:TRP317 3.7 48.2 1.0 O A:HOH1012 3.8 57.0 1.0 C04 A:6B0805 3.9 90.4 0.5 O A:MET311 4.0 47.0 1.0 C06 A:6B0805 4.0 89.2 0.5 C04 A:6B0805 4.0 89.3 0.5 C06 A:6B0805 4.1 90.2 0.5 CB A:MET311 4.2 41.8 1.0 CE A:MET311 4.3 37.5 1.0 C A:MET311 4.3 45.2 1.0 CE2 A:TRP317 4.3 40.9 1.0 O01 A:6B0805 4.4 88.8 0.5 C05 A:6B0805 4.5 89.0 0.5 C05 A:6B0805 4.5 89.5 0.5 CG A:TRP317 4.8 44.3 1.0 CA A:MET311 4.8 43.5 1.0 N A:ARG312 4.8 43.7 1.0 O A:PHE314 4.9 48.6 1.0 CZ2 A:TRP317 4.9 35.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol


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 Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Ebsi-39 (2,3- Dichlorophenyl)Methanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:98.7 occ:0.50 CL2 A:6B0805 0.0 98.7 0.5 CL2 A:6B0805 0.2 98.7 0.5 C09 A:6B0805 1.8 92.8 0.5 C09 A:6B0805 1.9 92.7 0.5 C07 A:6B0805 2.7 89.2 0.5 C03 A:6B0805 2.8 92.1 0.5 C03 A:6B0805 2.8 89.2 0.5 C07 A:6B0805 2.9 92.1 0.5 O01 A:6B0805 3.0 86.3 0.5 C02 A:6B0805 3.0 86.9 0.5 C02 A:6B0805 3.1 91.4 0.5 CL1 A:6B0805 3.2 86.0 0.5 CL1 A:6B0805 3.4 91.4 0.5 NE1 A:TRP317 3.5 49.9 1.0 O A:HOH1012 3.7 57.0 1.0 CD1 A:TRP317 3.8 48.2 1.0 O A:MET311 3.9 47.0 1.0 C06 A:6B0805 4.0 89.2 0.5 C04 A:6B0805 4.1 90.4 0.5 C04 A:6B0805 4.1 89.3 0.5 C06 A:6B0805 4.2 90.2 0.5 CB A:MET311 4.2 41.8 1.0 C A:MET311 4.2 45.2 1.0 CE2 A:TRP317 4.5 40.9 1.0 CE A:MET311 4.5 37.5 1.0 O01 A:6B0805 4.5 88.8 0.5 C05 A:6B0805 4.6 89.0 0.5 C05 A:6B0805 4.6 89.5 0.5 N A:ARG312 4.7 43.7 1.0 CA A:MET311 4.8 43.5 1.0 O A:PHE314 4.8 48.6 1.0 CA A:ARG312 4.8 53.7 1.0 CG A:TRP317 4.9 44.3 1.0

P.Pierce, M.M.Muruthi, J.Abendroth, S.O.Moen, D.W.Begley, D.R.Davies, V.M.Marathias, B.L.Staker, P.J.Myler, D.D.Lorimer, T.E.Edwards. Fragment Screening By Std uc(Nmr) Identifies Novel Site Binders Against Influenza A Virus Polymerase Pa To Be Published.