Chlorine in PDB 8sz2: STX2A1 Bound to P8 Stalk Peptide

All present enzymatic activity of STX2A1 Bound to P8 Stalk Peptide:
3.2.2.22;

The structure of STX2A1 Bound to P8 Stalk Peptide, PDB code: 8sz2 was solved by M.J.Rudolph, X.P.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.22 / 2.01
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	102.349, 102.349, 92.891, 90, 90, 120
R / Rfree (%)	17.3 / 21.1

The binding sites of Chlorine atom in the STX2A1 Bound to P8 Stalk Peptide (pdb code 8sz2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the STX2A1 Bound to P8 Stalk Peptide, PDB code: 8sz2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the STX2A1 Bound to P8 Stalk Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of STX2A1 Bound to P8 Stalk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:78.8 occ:1.00 O A:HOH489 3.5 57.4 1.0 C A:GLY217 3.5 51.4 1.0 O A:GLY217 3.7 47.9 1.0 N A:VAL218 3.8 47.1 1.0 CA A:GLY217 4.0 51.4 1.0 CG A:ARG219 4.0 56.0 1.0 CA A:VAL218 4.0 44.1 1.0 O A:HOH425 4.1 48.5 1.0 C A:VAL218 4.3 51.0 1.0 O B:HOH443 4.3 51.5 1.0 N A:ARG219 4.4 46.0 1.0 CD A:ARG219 4.6 76.0 1.0 N A:GLY217 4.7 68.4 1.0 OG1 B:THR96 4.8 47.0 1.0 CB A:ARG219 4.9 40.8 1.0 O A:VAL218 4.9 44.3 1.0

Chlorine binding site 2 out of 3 in the STX2A1 Bound to P8 Stalk Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of STX2A1 Bound to P8 Stalk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:62.6 occ:1.00 N B:ARG204 3.1 31.9 1.0 N B:GLY203 3.2 24.4 1.0 O B:LEU200 3.3 36.3 1.0 NH1 B:ARG204 3.4 77.5 1.0 CA B:ASN201 3.4 34.5 1.0 C B:ASN201 3.4 29.0 1.0 CG B:ARG204 3.5 48.8 1.0 CA B:GLY203 3.6 31.2 1.0 N B:TRP202 3.7 26.9 1.0 C B:GLY203 3.8 38.3 1.0 O B:ASN201 3.9 34.4 1.0 CZ B:ARG204 4.0 88.1 1.0 CB B:ARG204 4.1 34.8 1.0 C B:LEU200 4.1 39.7 1.0 N B:ASN201 4.1 31.8 1.0 C B:TRP202 4.2 23.1 1.0 CA B:ARG204 4.2 31.3 1.0 CD B:ARG204 4.2 64.5 1.0 NE B:ARG204 4.4 79.5 1.0 CA B:TRP202 4.5 24.6 1.0 CB B:ASN201 4.6 36.6 1.0 OD1 B:ASN201 4.7 52.8 1.0 C11 A:2PE301 4.8 64.5 1.0 NH2 B:ARG204 4.8 84.5 1.0 O13 A:2PE301 4.9 66.0 1.0 C8 A:2PE301 4.9 59.3 1.0

Chlorine binding site 3 out of 3 in the STX2A1 Bound to P8 Stalk Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of STX2A1 Bound to P8 Stalk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:74.4 occ:1.00 O B:HOH432 3.5 36.1 1.0 N B:GLY56 3.6 36.8 1.0 O B:ARG63 3.6 66.5 1.0 CD B:ARG55 3.8 44.8 1.0 O B:HOH409 4.1 50.6 1.0 CB B:ASP65 4.2 45.4 1.0 CA B:ARG55 4.3 31.3 1.0 CB B:ARG55 4.3 35.3 1.0 CA B:GLY56 4.4 39.5 1.0 C B:ARG55 4.5 34.3 1.0 O B:TYR60 4.6 85.9 1.0 C B:ALA62 4.6 94.1 1.0 C B:ARG63 4.6 68.4 1.0 N B:ARG63 4.7 71.2 1.0 O B:ALA62 4.7 102.8 1.0 CG B:ARG55 4.7 36.1 1.0 NE B:ARG55 4.9 53.1 1.0 CA B:ASP65 5.0 40.4 1.0

M.J.Rudolph, X.P.Li. Structure of Shiga Toxin 2 A1 Subunit with Peptides That Bind at the Ribosome Binding Site and Inhibit Activity To Be Published.