Chlorine in PDB 8b82: Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide

The structure of Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide, PDB code: 8b82 was solved by B.Z.Stewart, M.Kvansakul, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.74 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.41, 55.253, 114.284, 90, 90, 90
R / Rfree (%)	24.2 / 27.8

The binding sites of Chlorine atom in the Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide (pdb code 8b82). 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 Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide, PDB code: 8b82:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide


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 Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:42.7 occ:1.00 H A:GLY785 2.7 41.6 1.0 H A:ASN784 3.3 36.8 1.0 O A:GLN808 3.4 33.1 1.0 N A:GLY785 3.4 33.5 1.0 HB2 A:GLU782 3.5 48.4 1.0 HB3 A:GLU782 3.5 48.4 1.0 N A:ASN784 3.7 30.5 1.0 HA A:ASN784 3.8 40.4 1.0 HG2 A:GLN808 3.8 41.7 1.0 HA2 A:GLY785 3.9 43.0 1.0 H A:ARG810 3.9 47.1 1.0 HA A:MET809 4.0 44.6 1.0 CB A:GLU782 4.0 39.1 1.0 OE1 A:GLU782 4.0 41.5 1.0 CA A:ASN784 4.1 32.5 1.0 C A:GLN808 4.2 32.5 1.0 HB3 A:GLN808 4.2 42.8 1.0 HB2 A:ARG810 4.2 49.5 1.0 CA A:GLY785 4.2 34.6 1.0 C A:ASN784 4.2 30.8 1.0 N A:ARG810 4.4 38.0 1.0 HA A:VAL783 4.4 40.3 1.0 C A:VAL783 4.4 32.6 1.0 O A:GLU782 4.4 35.3 1.0 C A:GLU782 4.4 36.5 1.0 CG A:GLN808 4.6 33.5 1.0 CA A:MET809 4.6 36.0 1.0 N A:VAL783 4.6 31.7 1.0 HB3 A:ARG810 4.6 49.5 1.0 N A:MET809 4.7 36.3 1.0 C A:MET809 4.7 33.9 1.0 CA A:VAL783 4.7 32.4 1.0 CB A:GLN808 4.8 34.4 1.0 CD A:GLU782 4.8 42.6 1.0 HG23 A:THR728 4.8 45.6 1.0 OE1 A:GLN808 4.8 30.7 1.0 CB A:ARG810 4.8 40.0 1.0 HA3 A:GLY785 4.8 43.0 1.0 CA A:GLU782 4.9 37.4 1.0 H A:VAL783 5.0 39.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide


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 Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:56.5 occ:1.00 HH A:TYR751 2.6 44.0 1.0 OH A:TYR751 3.2 35.4 1.0 HE2 A:TYR751 3.5 49.1 1.0 HA3 A:GLY777 3.6 42.4 1.0 HA2 A:GLY777 3.8 42.4 1.0 CZ A:TYR751 4.0 43.1 1.0 HG2 B:LYS752 4.0 74.3 1.0 CE2 A:TYR751 4.0 39.7 1.0 O A:HOH1016 4.1 45.7 1.0 CA A:GLY777 4.1 34.1 1.0 HG3 B:LYS752 4.3 74.3 1.0 HA B:LYS752 4.3 70.0 1.0 CG B:LYS752 4.6 60.7 1.0 O B:TYR751 4.7 47.8 1.0 N A:GLY777 4.8 32.4 1.0 HE3 B:LYS752 4.8 81.4 1.0 H B:GLY753 4.9 65.9 1.0 HG23 A:VAL776 4.9 46.1 1.0 O A:VAL776 5.0 33.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide


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 Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl903 b:48.0 occ:1.00 HG21 A:VAL786 3.4 44.7 1.0 HG12 A:VAL783 3.5 44.8 1.0 HA A:ALA803 3.8 47.5 1.0 HB A:VAL786 3.8 44.3 1.0 HB1 A:ALA799 3.8 45.1 1.0 HB2 A:ASN784 3.8 38.4 1.0 O A:ALA799 3.9 43.6 1.0 HG23 A:VAL786 3.9 44.7 1.0 HA A:ALA799 4.0 49.5 1.0 CG2 A:VAL786 4.0 36.0 1.0 O A:VAL783 4.1 32.4 1.0 HB A:VAL783 4.3 44.1 1.0 HB3 A:ALA803 4.3 46.5 1.0 CG1 A:VAL783 4.3 36.1 1.0 HD22 A:ASN784 4.3 39.9 1.0 CB A:VAL786 4.4 35.7 1.0 HG11 A:VAL786 4.4 42.3 1.0 HG11 A:VAL783 4.4 44.8 1.0 CA A:ALA799 4.6 40.0 1.0 CB A:ALA799 4.6 36.3 1.0 CA A:ALA803 4.6 38.3 1.0 C A:ALA799 4.6 40.4 1.0 CB A:ASN784 4.8 31.0 1.0 CB A:VAL783 4.8 35.5 1.0 CB A:ALA803 4.8 37.5 1.0 HB2 A:ALA799 4.9 45.1 1.0 C A:VAL783 4.9 32.6 1.0 HG22 A:VAL786 4.9 44.7 1.0 N A:ALA803 4.9 38.0 1.0 CG1 A:VAL786 4.9 34.0 1.0 O A:GLY802 5.0 33.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide


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 Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:42.3 occ:1.00 OE1 B:GLU782 3.4 42.0 1.0 H B:GLY785 3.4 43.6 1.0 HG2 B:GLN808 3.4 42.9 1.0 HB3 B:GLU782 3.5 50.0 1.0 O B:GLN808 3.6 34.6 1.0 HB3 B:GLN808 3.7 44.9 1.0 H B:ASN784 3.7 45.2 1.0 HG2 B:GLU782 4.0 50.6 1.0 HG23 B:THR728 4.1 45.1 1.0 N B:GLY785 4.1 35.2 1.0 HA B:ASN784 4.2 45.8 1.0 N B:ASN784 4.2 36.4 1.0 HB2 B:ARG810 4.2 44.2 1.0 CG B:GLN808 4.2 35.0 1.0 C B:GLN808 4.2 34.6 1.0 CD B:GLU782 4.3 41.3 1.0 CB B:GLN808 4.4 36.2 1.0 CB B:GLU782 4.4 40.5 1.0 H B:ARG810 4.4 47.1 1.0 CG B:GLU782 4.4 41.0 1.0 HG21 B:THR728 4.5 45.1 1.0 HA B:MET809 4.5 45.5 1.0 HA2 B:GLY785 4.5 45.8 1.0 N B:ARG810 4.6 38.0 1.0 CA B:ASN784 4.6 37.0 1.0 HA B:VAL783 4.6 45.6 1.0 OE1 B:GLN808 4.7 35.5 1.0 C B:MET809 4.7 35.2 1.0 N B:MET809 4.7 34.3 1.0 O B:GLU782 4.8 37.0 1.0 CG2 B:THR728 4.8 36.4 1.0 C B:GLU782 4.8 39.5 1.0 CD B:GLN808 4.8 35.3 1.0 HB3 B:ARG810 4.8 44.2 1.0 CA B:MET809 4.9 36.7 1.0 C B:ASN784 4.9 35.6 1.0 CB B:ARG810 4.9 35.7 1.0 N B:VAL783 4.9 37.8 1.0 C B:VAL783 4.9 36.7 1.0 CA B:GLY785 4.9 37.0 1.0 HG3 B:GLN808 4.9 42.9 1.0 CA B:GLN808 5.0 37.1 1.0 HB2 B:GLU782 5.0 50.0 1.0

B.Z.Stewart, S.Caria, P.O.Humbert, M.Kvansakul. Crystal Structure of Scribble PDZ1 with Human Papillomavirus Strain 16 E6 Peptide To Be Published.