Chlorine in PDB 3k44: Crystal Structure of Drosophila Melanogaster Pur-Alpha

The structure of Crystal Structure of Drosophila Melanogaster Pur-Alpha, PDB code: 3k44 was solved by A.Graebsch, S.Roche, D.Niessing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.46 / 2.10
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.168, 62.544, 64.479, 90.00, 90.01, 90.00
R / Rfree (%)	22.2 / 24

The binding sites of Chlorine atom in the Crystal Structure of Drosophila Melanogaster Pur-Alpha (pdb code 3k44). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Drosophila Melanogaster Pur-Alpha, PDB code: 3k44:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


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 Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:30.8 occ:1.00 N B:GLN52 3.0 27.1 1.0 N A:GLN52 3.1 27.2 1.0 NE2 B:GLN166 3.2 21.6 1.0 NE2 A:GLN166 3.3 21.5 1.0 CA B:ILE51 3.8 24.7 1.0 CG A:GLN166 3.8 20.3 1.0 CA A:ILE51 3.8 24.7 1.0 CG B:GLN166 3.8 20.0 1.0 CA B:GLN52 3.8 29.0 1.0 C B:ILE51 3.8 25.5 1.0 C A:ILE51 3.9 25.5 1.0 CD B:GLN166 3.9 25.0 1.0 CA A:GLN52 3.9 29.0 1.0 CD A:GLN166 4.0 24.5 1.0 CG2 B:ILE51 4.1 24.4 1.0 CG2 A:ILE51 4.2 24.1 1.0 CB B:GLN52 4.3 28.6 1.0 O A:GLN50 4.3 24.6 1.0 CB A:GLN52 4.4 28.7 1.0 O B:GLN50 4.4 24.5 1.0 CB B:ILE51 4.5 24.2 1.0 CB A:ILE51 4.5 23.9 1.0 CB A:GLN166 4.8 19.2 1.0 CB B:GLN166 4.8 19.1 1.0 N A:ILE51 4.8 24.3 1.0 N B:ILE51 4.9 24.2 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


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 Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl186 b:48.8 occ:1.00 CD A:ARG65 3.6 48.6 1.0 OD1 A:ASN63 3.6 39.3 1.0 CB A:ARG65 3.9 43.6 1.0 NH1 A:ARG65 4.0 54.5 1.0 CG A:ARG65 4.0 45.5 1.0 ND2 A:ASN63 4.2 33.4 1.0 CG A:ASN63 4.3 38.4 1.0 NE A:ARG65 4.4 51.4 1.0 CZ A:ARG65 4.6 53.0 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


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 Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl188 b:45.2 occ:1.00 O A:HOH205 3.0 51.4 1.0 N A:TYR130 3.6 38.9 1.0 CD2 A:TYR130 3.7 46.3 1.0 CB A:ASP129 3.8 39.9 1.0 CB A:TYR130 3.8 40.3 1.0 NE A:ARG131 3.9 41.0 1.0 CG A:ARG131 3.9 38.0 1.0 O A:LYS128 4.1 37.0 1.0 CA A:TYR130 4.1 39.4 1.0 CD1 A:ILE152 4.1 49.7 1.0 N A:ARG131 4.1 38.3 1.0 CG A:TYR130 4.3 43.9 1.0 CD A:ARG131 4.3 38.2 1.0 OD2 A:ASP129 4.4 46.9 1.0 C A:TYR130 4.4 39.0 1.0 CG A:ASP129 4.6 42.2 1.0 C A:ASP129 4.6 39.0 1.0 CB A:ARG131 4.7 37.3 1.0 CA A:ASP129 4.8 39.0 1.0 CE2 A:TYR130 4.8 48.3 1.0 CZ A:ARG131 4.8 42.1 1.0 NH2 A:ARG131 5.0 41.6 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


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 Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:48.3 occ:1.00 CD2 B:TYR130 3.4 45.0 0.5 CB B:ASP129 3.6 38.2 1.0 N B:TYR130 3.7 38.9 1.0 OD2 B:ASP129 3.7 44.1 1.0 CB B:TYR130 3.8 40.2 0.5 CB B:TYR130 3.9 40.6 0.5 NE B:ARG131 4.0 41.2 1.0 CG B:TYR130 4.0 42.9 0.5 CD2 B:TYR130 4.1 47.2 0.5 CG B:ARG131 4.1 38.1 1.0 CG B:ASP129 4.1 41.0 1.0 CA B:TYR130 4.2 39.4 0.5 CA B:TYR130 4.2 39.6 0.5 O B:LYS128 4.2 37.2 1.0 CE2 B:TYR130 4.3 47.4 0.5 N B:ARG131 4.4 38.4 1.0 CD B:ARG131 4.5 38.3 1.0 CG B:TYR130 4.5 44.2 0.5 C B:TYR130 4.6 39.1 1.0 C B:ASP129 4.7 38.6 1.0 CA B:ASP129 4.7 38.3 1.0 CZ B:ARG131 4.9 42.1 1.0 CB B:ARG131 5.0 37.6 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1 b:47.3 occ:1.00 N C:TYR130 3.5 38.8 1.0 CD2 C:TYR130 3.7 46.3 1.0 CB C:TYR130 3.7 40.2 1.0 CB C:ASP129 3.7 39.8 1.0 NE C:ARG131 3.9 41.0 1.0 CG C:ARG131 3.9 37.9 1.0 CA C:TYR130 4.0 39.3 1.0 O C:LYS128 4.0 37.0 1.0 CD1 C:ILE152 4.1 49.6 1.0 N C:ARG131 4.1 38.2 1.0 CG C:TYR130 4.2 43.9 1.0 C C:TYR130 4.3 39.0 1.0 CD C:ARG131 4.3 38.2 1.0 OD2 C:ASP129 4.4 46.9 1.0 C C:ASP129 4.6 38.9 1.0 CG C:ASP129 4.6 42.1 1.0 CB C:ARG131 4.7 37.3 1.0 CA C:ASP129 4.7 39.0 1.0 CE2 C:TYR130 4.8 48.4 1.0 CZ C:ARG131 4.9 42.1 1.0 CA C:ARG131 5.0 37.6 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl186 b:29.1 occ:1.00 N D:GLN52 3.0 27.1 1.0 N C:GLN52 3.1 27.1 1.0 NE2 D:GLN166 3.2 21.4 1.0 NE2 C:GLN166 3.3 21.6 1.0 CG D:GLN166 3.7 19.9 1.0 CG C:GLN166 3.8 20.4 1.0 CA C:ILE51 3.8 24.8 1.0 CA D:ILE51 3.8 24.8 1.0 CA D:GLN52 3.9 29.1 1.0 C D:ILE51 3.9 25.5 1.0 CD D:GLN166 3.9 24.9 1.0 C C:ILE51 3.9 25.4 1.0 CD C:GLN166 4.0 24.5 1.0 CA C:GLN52 4.0 29.1 1.0 CG2 D:ILE51 4.1 24.2 1.0 CG2 C:ILE51 4.2 24.0 1.0 CB D:GLN52 4.3 28.6 1.0 O C:GLN50 4.3 24.6 1.0 CB C:GLN52 4.4 28.7 1.0 O D:GLN50 4.5 24.5 1.0 CB C:ILE51 4.5 24.0 1.0 CB D:ILE51 4.5 24.2 1.0 CB C:GLN166 4.7 19.1 1.0 CB D:GLN166 4.7 19.0 1.0 N C:ILE51 4.9 24.2 1.0 N D:ILE51 4.9 24.3 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl187 b:49.6 occ:1.00 CD C:ARG65 3.6 48.6 1.0 OD1 C:ASN63 3.7 39.3 1.0 CB C:ARG65 3.9 43.5 1.0 NH1 C:ARG65 4.0 54.5 1.0 CG C:ARG65 4.1 45.5 1.0 ND2 C:ASN63 4.3 33.4 1.0 CG C:ASN63 4.4 38.4 1.0 NE C:ARG65 4.5 51.3 1.0 CZ C:ARG65 4.6 52.9 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of Drosophila Melanogaster Pur-Alpha


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Drosophila Melanogaster Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1 b:48.7 occ:1.00 CD2 D:TYR130 3.3 45.0 0.5 CB D:ASP129 3.5 38.2 1.0 N D:TYR130 3.6 38.9 1.0 OD2 D:ASP129 3.7 43.9 1.0 CB D:TYR130 3.8 40.2 0.5 CB D:TYR130 3.9 40.5 0.5 CG D:TYR130 4.0 43.0 0.5 NE D:ARG131 4.0 41.3 1.0 CD2 D:TYR130 4.1 47.3 0.5 CG D:ASP129 4.1 40.9 1.0 CG D:ARG131 4.1 38.1 1.0 CA D:TYR130 4.2 39.4 0.5 CA D:TYR130 4.2 39.6 0.5 O D:LYS128 4.2 37.2 1.0 CE2 D:TYR130 4.3 47.5 0.5 N D:ARG131 4.4 38.3 1.0 CG D:TYR130 4.5 44.1 0.5 CD D:ARG131 4.5 38.3 1.0 C D:TYR130 4.6 39.1 1.0 C D:ASP129 4.6 38.7 1.0 CA D:ASP129 4.7 38.3 1.0 CZ D:ARG131 5.0 42.1 1.0

A.Graebsch, S.Roche, D.Niessing. X-Ray Structure of Pur-Alpha Reveals A Whirly-Like Fold and An Unusual Nucleic-Acid Binding Surface Proc.Natl.Acad.Sci.Usa V. 106 18521 2009.
ISSN: ISSN 0027-8424
PubMed: 19846792
DOI: 10.1073/PNAS.0907990106