Chlorine in PDB 5ifb: Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline

The structure of Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline, PDB code: 5ifb 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)	47.69 / 2.45
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.920, 68.920, 396.420, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 23.1

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 Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline (pdb code 5ifb). 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 Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline, PDB code: 5ifb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline


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 Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:84.5 occ:1.00 CL A:6AV801 0.0 84.5 1.0 C2 A:6AV801 1.8 63.9 1.0 C3 A:6AV801 2.7 66.0 1.0 C1 A:6AV801 2.8 58.7 1.0 CB A:MET311 3.6 39.6 1.0 OE1 A:GLU349 3.7 87.3 1.0 C A:6AV801 4.0 66.0 1.0 C4 A:6AV801 4.0 69.6 1.0 CD A:GLU349 4.1 89.8 1.0 CB A:LEU345 4.1 36.9 1.0 NE A:ARG312 4.1 64.9 1.0 CG A:MET311 4.2 33.8 1.0 CG2 A:ILE308 4.2 40.4 1.0 OE2 A:GLU349 4.4 95.7 1.0 O A:ILE308 4.4 40.2 1.0 CZ A:ARG312 4.5 63.3 1.0 NH2 A:ARG312 4.5 62.9 1.0 CD1 A:LEU345 4.6 30.8 1.0 CG A:ARG312 4.6 43.2 1.0 CA A:ILE308 4.6 37.9 1.0 CE A:MET311 4.6 29.9 1.0 C5 A:6AV801 4.6 70.1 1.0 CG1 A:ILE308 4.7 42.6 1.0 CB A:ILE308 4.7 42.5 1.0 CD A:ARG312 4.7 56.6 1.0 O A:LEU345 4.8 48.6 1.0 CG A:GLU349 4.8 83.8 1.0 C A:LEU345 4.8 46.3 1.0 CA A:MET311 4.9 40.1 1.0 CG A:LEU345 4.9 40.5 1.0 N A:ARG312 4.9 38.2 1.0 C A:MET311 5.0 44.9 1.0 C A:ILE308 5.0 35.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline


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 Follow on Fragment Ebsi-4719 5-Chloro-2-(1H-Imidazol-1-Yl)Aniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:72.0 occ:1.00 N A:GLY429 3.9 44.7 1.0 O A:GLY429 4.0 54.1 1.0 CD2 A:LEU586 4.1 61.3 1.0 C A:GLY429 4.3 51.2 1.0 CB A:ARG582 4.3 29.8 1.0 O A:HOH906 4.4 44.9 1.0 O A:GLU427 4.5 49.4 1.0 C A:ARG582 4.5 31.2 1.0 CG A:GLU430 4.5 47.2 1.0 CA A:GLY429 4.5 48.1 1.0 O A:ARG582 4.5 36.6 1.0 N A:ARG583 4.6 30.6 1.0 OE2 A:GLU430 4.8 75.5 1.0 CA A:ARG583 4.8 36.0 1.0 CD A:GLU430 4.8 56.9 1.0 CG A:ARG583 4.8 41.6 1.0 CB A:LEU586 4.9 40.8 1.0 C A:ILE428 4.9 47.4 1.0 N A:GLU430 5.0 52.4 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.