Chlorine in PDB 5hna: Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251

The structure of Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251, PDB code: 5hna was solved by Y.-L.Liu, Y.Zhang, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.96 / 2.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.447, 108.616, 140.668, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 26.7

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251 (pdb code 5hna). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251, PDB code: 5hna:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251


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 Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:91.0 occ:1.00 CL1 A:63D401 0.0 91.0 1.0 CBD A:63D401 1.7 42.2 1.0 CBG A:63D401 2.6 47.7 1.0 CAL A:63D401 2.7 50.8 1.0 NZ A:LYS81 2.7 37.1 1.0 CZ A:PHE283 3.4 37.4 1.0 OAE A:63D401 3.4 52.0 1.0 SBH A:63D401 3.6 42.0 1.0 CE A:LYS81 3.6 43.0 1.0 CE1 A:PHE283 3.7 39.5 1.0 CAM A:63D401 3.8 62.5 1.0 CBE A:63D401 4.0 57.5 1.0 NH1 A:ARG84 4.1 37.8 1.0 NH2 A:ARG84 4.4 26.7 1.0 CBF A:63D401 4.4 65.9 1.0 NAB A:63D401 4.6 43.9 1.0 CE2 A:PHE283 4.6 37.1 1.0 OAD A:63D401 4.7 39.4 1.0 CZ A:ARG84 4.7 34.0 1.0 ND2 A:ASN83 4.8 43.3 1.0 CD A:LYS81 5.0 49.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251


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 Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:75.0 occ:1.00 CL1 B:63D401 0.0 75.0 1.0 CBD B:63D401 1.7 50.0 1.0 CBG B:63D401 2.7 51.4 1.0 CAL B:63D401 2.7 52.9 1.0 OAE B:63D401 3.1 48.3 1.0 CZ B:PHE283 3.3 28.3 1.0 NH1 B:ARG84 3.4 25.8 1.0 SBH B:63D401 3.4 43.7 1.0 NH2 B:ARG84 3.7 30.9 1.0 NZ B:LYS81 3.7 38.3 1.0 CAM B:63D401 3.9 68.2 1.0 CZ B:ARG84 3.9 27.5 1.0 CE1 B:PHE283 4.0 34.3 1.0 CE B:LYS81 4.0 46.1 1.0 CBE B:63D401 4.0 64.9 1.0 CE2 B:PHE283 4.2 35.4 1.0 OE1 B:GLN119 4.2 48.0 1.0 NAB B:63D401 4.3 42.5 1.0 CBF B:63D401 4.5 75.2 1.0 OAD B:63D401 4.7 51.1 1.0 O B:HOH512 4.8 26.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251


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 Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:95.6 occ:1.00 CL1 C:63D401 0.0 95.6 1.0 CBD C:63D401 1.7 63.7 1.0 CBG C:63D401 2.7 64.8 1.0 CAL C:63D401 2.8 67.6 1.0 NH1 C:ARG84 2.9 39.9 1.0 OAE C:63D401 3.2 62.2 1.0 CZ C:PHE283 3.4 47.6 1.0 NZ C:LYS81 3.5 59.3 1.0 SBH C:63D401 3.5 53.1 1.0 CZ C:ARG84 3.8 34.2 1.0 NH2 C:ARG84 3.8 42.3 1.0 CAM C:63D401 4.0 73.1 1.0 CBE C:63D401 4.1 73.1 1.0 CE1 C:PHE283 4.1 44.5 1.0 CE2 C:PHE283 4.2 51.3 1.0 NE2 C:GLN119 4.2 50.0 1.0 CE C:LYS81 4.2 67.1 1.0 NAB C:63D401 4.5 45.9 1.0 CBF C:63D401 4.6 76.3 1.0 OAD C:63D401 4.7 55.6 1.0 NE C:ARG84 5.0 35.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251


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 Plasmodium Vivax Geranylgeranylpyrophosphate Synthase Complexed with Bph-1251 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:68.8 occ:1.00 CL1 D:63D401 0.0 68.8 1.0 CBD D:63D401 1.7 59.8 1.0 CAL D:63D401 2.7 67.5 1.0 CBG D:63D401 2.7 58.4 1.0 OAE D:63D401 3.0 54.8 1.0 NZ D:LYS81 3.2 47.4 1.0 NH1 D:ARG84 3.3 48.2 1.0 SBH D:63D401 3.4 48.7 1.0 CZ D:PHE283 3.6 46.0 1.0 NH2 D:ARG84 3.9 47.4 1.0 CAM D:63D401 4.0 68.2 1.0 CBE D:63D401 4.0 71.5 1.0 CE D:LYS81 4.0 45.5 1.0 CZ D:ARG84 4.1 47.7 1.0 CE1 D:PHE283 4.2 54.2 1.0 NE2 D:GLN119 4.2 51.7 1.0 NAB D:63D401 4.3 48.0 1.0 CBF D:63D401 4.5 76.4 1.0 OAD D:63D401 4.6 55.9 1.0 CE2 D:PHE283 4.6 45.7 1.0

C.G Ricci, Y.L.Liu, Y.Zhang, Y.Wang, W.Zhu, E.Oldfield, J.A.Mccammon. Dynamic Structure and Inhibition of A Malaria Drug Target: Geranylgeranyl Diphosphate Synthase. Biochemistry V. 55 5180 2016.
ISSN: ISSN 0006-2960
PubMed: 27564465
DOI: 10.1021/ACS.BIOCHEM.6B00398