Chlorine in PDB 1n4x: Structure of Scfv 1696 at Acidic pH

The structure of Structure of Scfv 1696 at Acidic pH, PDB code: 1n4x was solved by J.Lescar, J.Brynda, M.Fabry, M.Horejsi, P.Rezacova, J.Sedlacek, G.A.Bentley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	126.930, 61.210, 57.300, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 25.6

The binding sites of Chlorine atom in the Structure of Scfv 1696 at Acidic pH (pdb code 1n4x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Scfv 1696 at Acidic pH, PDB code: 1n4x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Scfv 1696 at Acidic pH


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Scfv 1696 at Acidic pH within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl1002 b:17.4 occ:1.00 N H:HIS401 3.3 40.6 1.0 N H:TYR403 3.3 45.0 1.0 N H:GLU405 3.4 39.0 1.0 N H:ILE406 3.5 35.1 1.0 CB H:ASP399 3.5 30.3 1.0 N H:GLY404 3.6 42.2 1.0 N H:ARG400 3.7 36.2 1.0 CB H:TYR403 3.7 46.4 1.0 CG H:ASP399 3.7 30.7 1.0 N H:ASP402 3.8 44.5 1.0 CA H:TYR403 3.8 45.0 1.0 C H:TYR403 3.9 44.0 1.0 CB H:GLU405 4.0 38.5 1.0 CA H:GLU405 4.0 37.8 1.0 CA H:HIS401 4.1 42.4 1.0 OD1 H:ASP399 4.1 30.5 1.0 C H:HIS401 4.1 43.7 1.0 O H:ILE406 4.2 32.1 1.0 OD2 H:ASP399 4.2 30.9 1.0 CA H:ARG400 4.2 40.1 1.0 CB H:ARG400 4.2 44.0 1.0 C H:ARG400 4.2 40.3 1.0 C H:GLU405 4.3 36.3 1.0 C H:GLY404 4.3 40.0 1.0 CA H:GLY404 4.4 40.7 1.0 C H:ASP402 4.4 45.1 1.0 CB H:HIS401 4.4 41.8 1.0 CA H:ILE406 4.4 34.0 1.0 CG H:GLU405 4.4 40.6 1.0 C H:ASP399 4.5 31.9 1.0 CB H:ILE406 4.5 34.9 1.0 CD2 H:TYR403 4.5 50.0 1.0 CG H:TYR403 4.6 49.0 1.0 CA H:ASP402 4.6 45.1 1.0 CA H:ASP399 4.6 28.6 1.0 OE1 H:GLU405 4.7 41.5 1.0 C H:ILE406 4.7 33.5 1.0 O H:TYR403 4.8 43.1 1.0 O H:HIS401 4.9 43.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Scfv 1696 at Acidic pH


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Scfv 1696 at Acidic pH within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl1001 b:7.3 occ:1.00 O I:HOH1073 3.1 29.9 1.0 N I:HIS401 3.3 22.3 1.0 N I:GLU405 3.3 21.0 1.0 N I:TYR403 3.4 23.2 1.0 N I:ILE406 3.5 18.6 1.0 N I:GLY404 3.5 23.9 1.0 CB I:ASP399 3.7 18.9 1.0 N I:ARG400 3.7 18.4 1.0 CG I:ASP399 3.7 20.4 1.0 CB I:TYR403 3.8 24.8 1.0 N I:ASP402 3.8 20.9 1.0 CA I:TYR403 3.9 24.5 1.0 CB I:GLU405 3.9 21.7 1.0 C I:TYR403 3.9 24.2 1.0 CA I:GLU405 4.0 20.0 1.0 OD2 I:ASP399 4.0 20.6 1.0 OD1 I:ASP399 4.0 22.2 1.0 CA I:HIS401 4.1 22.2 1.0 O I:ILE406 4.1 21.6 1.0 CB I:ARG400 4.1 21.1 1.0 CA I:ARG400 4.1 21.4 1.0 C I:HIS401 4.1 22.1 1.0 C I:ARG400 4.2 22.6 1.0 C I:GLY404 4.2 22.8 1.0 C I:GLU405 4.3 19.3 1.0 OE1 I:GLU405 4.3 24.9 1.0 CA I:GLY404 4.3 23.4 1.0 CG I:GLU405 4.3 24.9 1.0 CB I:HIS401 4.3 25.4 1.0 CA I:ILE406 4.4 19.1 1.0 C I:ASP402 4.5 22.6 1.0 C I:ASP399 4.5 18.3 1.0 CB I:ILE406 4.6 18.3 1.0 C I:ILE406 4.6 19.7 1.0 CA I:ASP402 4.6 21.9 1.0 CD2 I:TYR403 4.7 29.3 1.0 CG I:TYR403 4.7 27.4 1.0 CA I:ASP399 4.7 17.0 1.0 CD I:GLU405 4.7 25.3 1.0 O I:TYR403 4.8 24.1 1.0 O I:HIS401 5.0 22.4 1.0

J.Lescar, J.Brynda, M.Fabry, M.Horejsi, P.Rezacova, J.Sedlacek, G.A.Bentley. Structure of A Single-Chain Fv Fragment of An Antibody That Inhibits the Hiv-1 and Hiv-2 Proteases. Acta Crystallogr.,Sect.D V. 59 955 2003.
ISSN: ISSN 0907-4449
PubMed: 12777823
DOI: 10.1107/S0907444903003597