Chlorine in PDB 5if7: Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Fragment Hit Ebsi-279 N-[(4- Chlorophenyl)Methyl]-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

The structure of Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Fragment Hit Ebsi-279 N-[(4- Chlorophenyl)Methyl]-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine, PDB code: 5if7 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)	44.55 / 2.65
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.210, 69.210, 399.480, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 24.1

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 Fragment Hit Ebsi-279 N-[(4- Chlorophenyl)Methyl]-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine (pdb code 5if7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Fragment Hit Ebsi-279 N-[(4- Chlorophenyl)Methyl]-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine, PDB code: 5if7:

Chlorine binding site 1 out of 1 in the Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Fragment Hit Ebsi-279 N-[(4- Chlorophenyl)Methyl]-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine


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 Fragment Hit Ebsi-279 N-[(4- Chlorophenyl)Methyl]-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:0.0 occ:1.00 CL A:6AY801 0.0 0.0 1.0 C12 A:6AY801 1.8 0.6 1.0 C14 A:6AY801 2.7 0.0 1.0 C11 A:6AY801 2.8 0.4 1.0 CB A:MET311 3.8 47.9 1.0 C15 A:6AY801 4.0 0.8 1.0 C10 A:6AY801 4.1 0.7 1.0 CE A:MET311 4.2 44.3 1.0 CB A:LEU345 4.2 34.2 1.0 OE2 A:GLU349 4.3 0.8 1.0 CG A:MET311 4.4 43.7 1.0 C09 A:6AY801 4.6 0.5 1.0 CG A:GLU349 4.8 99.8 1.0 CD1 A:LEU345 4.8 35.6 1.0 OE1 A:GLN346 4.9 88.9 1.0 CD A:GLU349 4.9 0.3 1.0 C A:LEU345 4.9 46.9 1.0 N A:GLN346 5.0 49.0 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.