Chlorine in PDB 4nhm: Crystal Structure of TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9)

The structure of Crystal Structure of TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4nhm was solved by J.S.Scotti, M.A.Mcdonough, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.94 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.419, 67.564, 71.495, 90.00, 105.31, 90.00
R / Rfree (%)	14.5 / 17

The structure of Crystal Structure of TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) (pdb code 4nhm). 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 TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4nhm:

Chlorine binding site 1 out of 1 in the Crystal Structure of TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9)


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 TPA1P From Saccharomyces Cerevisiae, Termination and Polyadenylation Protein 1, in Complex with N-[(1-Chloro-4- Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:49.5 occ:1.00 CL1 A:UN9701 0.0 49.5 1.0 C7 A:UN9701 1.7 30.6 1.0 N8 A:UN9701 2.6 27.5 1.0 C2 A:UN9701 2.7 35.3 1.0 C1 A:UN9701 3.0 45.0 1.0 OD2 A:ASP161 3.1 27.0 1.0 O A:HOH960 3.3 51.5 1.0 MN A:MN702 3.5 23.5 1.0 CZ2 A:TRP244 3.5 36.6 1.0 C3 A:GOL703 3.6 67.7 1.0 CH2 A:TRP244 3.7 38.1 1.0 NE2 A:HIS159 3.7 26.1 1.0 O A:HOH1168 3.7 54.0 1.0 C9 A:UN9701 3.8 27.5 1.0 CD2 A:HIS159 3.9 25.0 1.0 C3 A:UN9701 4.0 39.5 1.0 CG A:ASP161 4.0 28.9 1.0 NH2 A:ARG166 4.1 35.3 1.0 O3 A:GOL703 4.3 71.4 1.0 O A:HOH1325 4.4 32.0 1.0 C6 A:UN9701 4.4 54.4 1.0 C10 A:UN9701 4.5 33.3 1.0 OD1 A:ASP161 4.6 35.3 1.0 OE1 A:GLN242 4.6 39.4 0.5 C1 A:GOL703 4.7 70.0 1.0 C2 A:GOL703 4.7 67.8 1.0 NH1 A:ARG166 4.7 34.4 1.0 CE2 A:TRP244 4.7 32.1 1.0 CZ A:ARG166 4.8 34.9 1.0 CE1 A:HIS159 4.8 25.0 1.0 CA A:ASP161 4.9 27.4 1.0 O A:HOH1323 4.9 60.4 1.0 O13 A:UN9701 4.9 28.4 1.0 C12 A:UN9701 5.0 26.2 1.0 CB A:ASP161 5.0 27.5 1.0

J.S.Scotti, J.S.Scotti, M.A.Mcdonough, C.J.Schofield. N/A N/A.