Chlorine in PDB 4ffy: Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007.

The structure of Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007., PDB code: 4ffy was solved by S.K.Austin, C.A.Nelson, D.H.Fremont, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.35 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	135.330, 135.330, 52.250, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007. (pdb code 4ffy). 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 DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007., PDB code: 4ffy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007.


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 DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007. within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:67.6 occ:1.00 O L:HOH455 2.3 70.5 1.0 NZ L:LYS39 3.5 59.0 1.0 OE1 L:GLN42 3.7 56.8 1.0 O L:HOH431 3.8 51.0 1.0 CE L:LYS39 4.0 45.6 1.0 CD L:LYS39 4.0 44.2 1.0 NE2 L:GLN42 4.4 58.3 1.0 CD L:GLN42 4.5 52.5 1.0 C3 L:GOL301 4.5 78.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007.


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 DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007. within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl303 b:82.5 occ:1.00 O L:HOH412 2.3 60.9 1.0 OH H:TYR95 3.6 52.2 1.0 NE2 L:GLN38 3.7 51.4 1.0 O L:GLN42 3.7 48.4 1.0 N L:GLY41 3.8 54.4 1.0 CD1 H:ILE93 3.9 42.3 1.0 N L:GLN42 4.2 44.5 1.0 CA L:GLY41 4.2 43.6 1.0 CD L:GLN38 4.3 53.9 1.0 CD2 H:LEU39 4.3 45.4 1.0 C L:GLY41 4.4 55.4 1.0 C L:GLN42 4.6 42.9 1.0 O L:LYS39 4.6 38.1 1.0 C L:PRO40 4.7 53.9 1.0 OE1 L:GLN38 4.8 57.1 1.0 CA L:PRO40 4.9 53.9 1.0 CG L:GLN38 4.9 48.9 1.0 CZ H:TYR95 5.0 36.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007.


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 DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007. within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl304 b:76.8 occ:1.00 OD2 L:ASP81 3.5 85.1 1.0 O2 L:GOL301 3.6 73.4 1.0 NH2 L:ARG61 3.7 54.7 1.0 NH1 L:ARG61 3.7 44.3 1.0 CG L:PRO59 3.9 60.9 1.0 CZ L:ARG61 4.2 65.7 1.0 OE2 L:GLU79 4.4 91.3 1.0 CG L:ASP81 4.5 91.3 1.0 C2 L:GOL301 4.6 74.4 1.0 CB L:PRO59 4.8 56.5 1.0 OD1 L:ASP81 4.8 90.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007.


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 DENV1-E111 Single Chain Variable Fragment Bound to Denv-1 Diii, Strain 16007. within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl202 b:80.8 occ:1.00 O H:HOH336 2.5 61.4 1.0 OD1 H:ASP73 3.1 87.8 1.0 NZ H:LYS74 3.5 69.5 1.0 N H:LYS74 3.8 52.7 1.0 N H:HIS75 3.9 74.1 1.0 CB H:LYS74 4.2 53.1 1.0 CB H:HIS75 4.3 82.4 1.0 CG H:ASP73 4.3 68.0 1.0 CA H:LYS74 4.4 52.5 1.0 C H:ASP73 4.5 60.7 1.0 CA H:ASP73 4.6 47.6 1.0 C H:LYS74 4.7 65.6 1.0 CA H:HIS75 4.7 70.5 1.0 CE H:LYS74 4.9 73.9 1.0 CG H:LYS74 5.0 51.1 1.0

S.K.Austin, K.A.Dowd, B.Shrestha, C.A.Nelson, M.A.Edeling, S.Johnson, T.C.Pierson, M.S.Diamond, D.H.Fremont. Structural Basis of Differential Neutralization of Denv-1 Genotypes By An Antibody That Recognizes A Cryptic Epitope. Plos Pathog. V. 8 02930 2012.
ISSN: ISSN 1553-7366
PubMed: 23055922
DOI: 10.1371/JOURNAL.PPAT.1002930