Chlorine in PDB 4qjb: Crystal Structure of the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum

The structure of Crystal Structure of the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum, PDB code: 4qjb was solved by N.H.Tolia, J.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.46 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.900, 43.800, 83.900, 90.00, 101.10, 90.00
R / Rfree (%)	20.2 / 24.2

The structure of Crystal Structure of the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum (pdb code 4qjb). 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 the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum, PDB code: 4qjb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum


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 the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:56.4 occ:1.00 HD21 A:ASN241 2.4 28.3 1.0 H A:GLY62 2.5 21.4 1.0 HZ1 A:LYS215 2.8 24.2 1.0 O A:HOH434 3.1 32.3 1.0 OD1 A:ASP27 3.2 29.6 1.0 HG1 A:THR61 3.3 23.4 1.0 ND2 A:ASN241 3.3 23.6 1.0 N A:GLY62 3.4 17.8 1.0 HA A:THR61 3.5 23.5 1.0 O A:HOH451 3.5 43.6 1.0 OD2 A:ASP27 3.6 37.6 1.0 NZ A:LYS215 3.6 20.2 1.0 HD22 A:ASN241 3.6 28.3 1.0 CG A:ASP27 3.8 28.4 1.0 HA3 A:GLY62 3.8 24.4 1.0 MG A:MG301 3.8 31.9 1.0 HB A:THR201 3.9 45.2 1.0 HZ2 A:LYS215 3.9 24.2 1.0 OG1 A:THR61 4.0 19.5 1.0 HZ3 A:LYS215 4.1 24.2 1.0 O A:HOH457 4.1 25.5 1.0 CA A:GLY62 4.1 20.4 1.0 CA A:THR61 4.2 19.6 1.0 C A:THR61 4.2 19.5 1.0 CG A:ASN241 4.3 26.5 1.0 HE3 A:LYS215 4.3 26.6 1.0 OD1 A:ASN241 4.4 28.1 1.0 H A:ARG63 4.4 22.0 1.0 CE A:LYS215 4.4 22.1 1.0 HE2 A:LYS215 4.5 26.6 1.0 HB2 A:ASP29 4.5 36.8 1.0 CB A:THR61 4.7 16.5 1.0 H A:LEU28 4.7 28.0 1.0 HB2 A:PHE202 4.8 63.6 1.0 HA2 A:GLY62 4.8 24.4 1.0 CB A:THR201 4.9 37.7 1.0 HG3 A:ARG63 4.9 24.9 1.0 HB A:THR61 4.9 19.8 1.0 H A:ASP29 4.9 30.4 1.0 OD1 A:ASN90 4.9 27.9 1.0 N A:ARG63 5.0 18.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum


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 the Sugar Phosphatase PFHAD1 From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:72.0 occ:1.00 HG1 B:THR61 2.0 38.1 1.0 H B:ASP29 2.8 46.0 1.0 OG1 B:THR61 2.8 31.7 1.0 OD1 B:ASP27 3.0 53.8 1.0 HB2 B:ASP29 3.0 52.5 1.0 OD1 B:ASP29 3.1 51.3 1.0 H B:GLY62 3.2 38.6 1.0 HB3 B:LEU28 3.5 46.4 1.0 H B:LEU28 3.5 42.1 1.0 HA B:THR61 3.6 39.4 1.0 HB B:THR61 3.6 39.9 1.0 N B:ASP29 3.6 38.3 1.0 CB B:THR61 3.7 33.3 1.0 CB B:ASP29 3.7 43.7 1.0 HZ1 B:LYS215 3.8 33.0 1.0 CG B:ASP27 3.8 48.8 1.0 CG B:ASP29 3.8 45.4 1.0 OD2 B:ASP27 3.8 57.5 1.0 HG3 B:ARG63 3.9 44.6 1.0 N B:GLY62 4.0 32.2 1.0 MG B:MG301 4.0 46.6 1.0 HD21 B:ASN241 4.1 72.3 1.0 CA B:THR61 4.1 32.8 1.0 H B:ARG63 4.2 41.8 1.0 HD2 B:ARG63 4.2 48.8 1.0 CA B:ASP29 4.3 44.5 1.0 N B:LEU28 4.3 35.1 1.0 HE B:ARG63 4.4 54.2 1.0 CB B:LEU28 4.4 38.6 1.0 HB3 B:ASP29 4.5 52.5 1.0 O B:ASP29 4.6 50.0 1.0 NZ B:LYS215 4.6 27.5 1.0 C B:THR61 4.6 33.3 1.0 C B:LEU28 4.6 36.6 1.0 HZ3 B:LYS215 4.7 33.0 1.0 CA B:LEU28 4.7 37.2 1.0 HB2 B:LEU28 4.8 46.4 1.0 CG B:ARG63 4.8 37.2 1.0 CD B:ARG63 4.8 40.6 1.0 HA3 B:GLY62 4.9 35.9 1.0 C B:ASP29 4.9 47.6 1.0 ND2 B:ASN241 4.9 60.3 1.0 HZ2 B:LYS215 4.9 33.0 1.0 N B:ARG63 4.9 34.8 1.0 NE B:ARG63 5.0 45.2 1.0 HD23 B:LEU28 5.0 50.6 1.0

A.M.Guggisberg, J.Park, R.L.Edwards, M.L.Kelly, D.M.Hodge, N.H.Tolia, A.R.Odom. A Sugar Phosphatase Regulates the Methylerythritol Phosphate (Mep) Pathway in Malaria Parasites. Nat Commun V. 5 4467 2014.
ISSN: ESSN 2041-1723
PubMed: 25058848
DOI: 10.1038/NCOMMS5467