Zinc in PDB 2rhk: Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A

The structure of Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A, PDB code: 2rhk was solved by K.Das, L.-C.Ma, R.Xiao, B.Radvansky, J.Aramini, L.Zhao, E.Arnold, R.M.Krug, G.T.Montelione, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.95
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	50.960, 50.960, 205.390, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23.4

The binding sites of Zinc atom in the Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A (pdb code 2rhk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A, PDB code: 2rhk:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn502 b:30.3 occ:1.00 NE2 C:HIS114 2.2 22.2 1.0 SG C:CYS110 2.3 30.5 1.0 SG C:CYS96 2.3 29.1 1.0 SG C:CYS105 2.4 25.6 1.0 CD2 C:HIS114 3.0 27.0 1.0 CB C:CYS110 3.1 26.5 1.0 CB C:CYS105 3.1 26.9 1.0 CE1 C:HIS114 3.2 30.6 1.0 CB C:CYS96 3.2 25.9 1.0 CG C:HIS114 4.2 31.2 1.0 ND1 C:HIS114 4.3 32.2 1.0 O C:HOH504 4.4 34.7 1.0 O C:PHE112 4.5 33.0 1.0 CA C:CYS110 4.6 28.6 1.0 CA C:CYS105 4.6 27.6 1.0 CA C:CYS96 4.6 29.3 1.0 CB C:TYR99 4.6 29.1 1.0 NE2 A:GLN121 4.8 30.1 1.0 CB C:PHE112 4.8 30.0 1.0 O C:HOH515 4.8 38.3 1.0 N C:TYR99 4.9 28.8 1.0 O A:HOH229 4.9 41.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:42.8 occ:1.00 NE2 C:HIS86 2.2 33.5 1.0 SG C:CYS76 2.4 44.2 1.0 SG C:CYS82 2.4 41.1 1.0 SG C:CYS68 2.4 36.5 1.0 CE1 C:HIS86 3.1 34.8 1.0 CB C:CYS82 3.1 38.8 1.0 CD2 C:HIS86 3.2 35.1 1.0 CB C:CYS68 3.3 31.9 1.0 CB C:CYS76 3.3 50.4 1.0 CB C:TRP71 4.2 38.1 1.0 ND1 C:HIS86 4.2 39.2 1.0 CG C:HIS86 4.3 36.1 1.0 CA C:CYS82 4.6 40.8 1.0 O C:PHE84 4.7 33.8 1.0 CB C:LYS78 4.7 45.4 1.0 N C:TRP71 4.7 41.9 1.0 CA C:CYS68 4.7 33.5 1.0 CA C:CYS76 4.7 51.4 1.0 CD C:LYS78 4.9 53.6 1.0 CA C:TRP71 4.9 40.1 1.0 CB C:PHE84 4.9 38.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn502 b:29.1 occ:1.00 NE2 D:HIS114 2.1 23.6 1.0 SG D:CYS96 2.3 29.2 1.0 SG D:CYS110 2.4 29.2 1.0 SG D:CYS105 2.4 29.6 1.0 CD2 D:HIS114 3.0 30.2 1.0 CB D:CYS96 3.1 28.4 1.0 CB D:CYS110 3.1 24.2 1.0 CB D:CYS105 3.2 30.2 1.0 CE1 D:HIS114 3.2 31.4 1.0 CG D:HIS114 4.2 28.1 1.0 ND1 D:HIS114 4.3 27.2 1.0 O D:HOH505 4.5 37.9 1.0 CA D:CYS96 4.5 30.6 1.0 CB D:TYR99 4.6 34.5 1.0 CA D:CYS110 4.6 24.9 1.0 O D:PHE112 4.6 32.5 1.0 CA D:CYS105 4.6 31.0 1.0 NE2 B:GLN121 4.8 29.7 1.0 CB D:PHE112 4.8 26.6 1.0 O D:HOH506 4.9 36.1 1.0 N D:TYR99 4.9 33.1 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Influenza A NS1A Protein in Complex with F2F3 Fragment of Human Cellular Factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:44.4 occ:1.00 NE2 D:HIS86 2.2 29.4 1.0 SG D:CYS76 2.3 42.6 1.0 SG D:CYS82 2.4 43.9 1.0 SG D:CYS68 2.5 35.8 1.0 CD2 D:HIS86 3.1 29.8 1.0 CB D:CYS82 3.1 45.1 1.0 CE1 D:HIS86 3.2 31.5 1.0 CB D:CYS68 3.2 29.7 1.0 CB D:CYS76 3.3 52.6 1.0 CB D:TRP71 4.2 32.4 1.0 CG D:HIS86 4.3 32.6 1.0 ND1 D:HIS86 4.3 31.6 1.0 CA D:CYS82 4.6 47.4 1.0 O D:PHE84 4.6 30.8 1.0 CA D:CYS68 4.7 31.3 1.0 N D:TRP71 4.7 35.3 1.0 CA D:CYS76 4.8 52.1 1.0 CB D:PHE84 4.8 36.9 1.0 CA D:TRP71 4.9 32.9 1.0 CB D:LYS78 5.0 53.8 1.0

K.Das, L.C.Ma, R.Xiao, B.Radvansky, J.Aramini, L.Zhao, J.Marklund, R.L.Kuo, K.Y.Twu, E.Arnold, R.M.Krug, G.T.Montelione. Structural Basis For Suppression of A Host Antiviral Response By Influenza A Virus. Proc.Natl.Acad.Sci.Usa V. 105 13093 2008.
ISSN: ISSN 0027-8424
PubMed: 18725644
DOI: 10.1073/PNAS.0805213105