Chlorine in PDB 4omk: Crystal Structure of Spf Bound to Squalene

The structure of Crystal Structure of Spf Bound to Squalene, PDB code: 4omk was solved by M.Christen, M.J.Marcaida, C.Lamprakis, M.Cascella, A.Stocker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.270, 73.540, 94.230, 90.00, 96.88, 90.00
R / Rfree (%)	14.8 / 17.4

The binding sites of Chlorine atom in the Crystal Structure of Spf Bound to Squalene (pdb code 4omk). 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 Spf Bound to Squalene, PDB code: 4omk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Spf Bound to Squalene


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 Spf Bound to Squalene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:66.0 occ:1.00 HZ1 A:LYS165 2.5 68.4 1.0 HZ3 B:LYS206 3.0 41.4 1.0 HH22 B:ARG214 3.0 36.6 0.5 HD3 B:LYS206 3.3 33.6 1.0 NZ A:LYS165 3.4 57.0 1.0 HH12 B:ARG214 3.4 33.6 0.5 HZ3 A:LYS165 3.6 68.4 1.0 HE2 A:LYS165 3.8 59.4 1.0 NH2 B:ARG214 3.8 30.5 0.5 NZ B:LYS206 3.8 34.5 1.0 HZ2 A:LYS165 3.9 68.4 1.0 HZ2 B:LYS206 3.9 41.4 1.0 CE A:LYS165 4.0 49.5 1.0 HE3 A:LYS165 4.1 59.4 1.0 NH1 B:ARG214 4.1 28.0 0.5 CD B:LYS206 4.1 28.0 1.0 HD2 B:LYS206 4.3 33.6 1.0 HH21 B:ARG214 4.4 36.6 0.5 HZ1 B:LYS206 4.4 41.4 1.0 CZ B:ARG214 4.4 27.9 0.5 CE B:LYS206 4.5 32.6 1.0 HE2 B:LYS206 4.6 39.2 1.0 HH11 B:ARG214 4.8 33.6 0.5 O A:HOH829 5.0 48.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Spf Bound to Squalene


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 Spf Bound to Squalene within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:55.3 occ:1.00 HE3 B:LYS255 2.7 64.6 1.0 HZ3 B:LYS255 2.7 77.2 1.0 HZ2 B:LYS255 2.8 77.2 1.0 NZ B:LYS255 3.1 64.4 1.0 HD22 B:ASN251 3.3 46.1 1.0 CE B:LYS255 3.3 53.8 1.0 O B:HOH501 3.5 35.4 1.0 HD2 B:LYS253 3.5 37.9 1.0 HZ1 B:LYS255 3.9 77.2 1.0 HZ2 B:LYS253 3.9 59.6 1.0 HE2 B:LYS255 4.0 64.6 1.0 HD2 B:LYS255 4.1 44.3 1.0 ND2 B:ASN251 4.1 38.4 1.0 CD B:LYS255 4.4 36.9 1.0 CD B:LYS253 4.5 31.5 1.0 HD21 B:ASN251 4.6 46.1 1.0 NZ B:LYS253 4.7 49.7 1.0 HD3 B:LYS253 4.7 37.9 1.0 HZ3 B:LYS253 4.8 59.6 1.0 OD1 B:ASN251 4.8 31.6 1.0 CG B:ASN251 4.9 32.0 1.0 HD3 B:LYS255 5.0 44.3 1.0

M.Christen, M.J.Marcaida, C.Lamprakis, M.Cascella, A.Stocker. Structure of Delta-275-403_SPF Bound to Squalene and 2,3-Oxidosqualene To Be Published.