Chlorine in PDB 1ry9: SPA15, A Type III Secretion Chaperone From Shigella Flexneri

The structure of SPA15, A Type III Secretion Chaperone From Shigella Flexneri, PDB code: 1ry9 was solved by A.Van Eerde, C.Hamiaux, J.Perez, C.Parsot, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.85 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.878, 87.682, 58.703, 90.00, 90.77, 90.00
R / Rfree (%)	18.1 / 21.1

The binding sites of Chlorine atom in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri (pdb code 1ry9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri, PDB code: 1ry9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SPA15, A Type III Secretion Chaperone From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:71.9 occ:1.00 O A:VAL109 3.4 9.9 1.0 CG2 A:VAL109 4.0 11.2 1.0 CB A:VAL109 4.3 11.3 1.0 C A:VAL109 4.5 6.8 1.0 CE1 A:HIS110 4.5 23.6 1.0 CD2 A:LEU9 4.5 11.1 1.0 CG2 A:VAL52 4.5 16.7 1.0 ND1 A:HIS110 4.6 20.6 1.0 CD1 A:LEU6 4.6 16.4 1.0 CD2 A:LEU47 4.7 40.7 1.0 CA A:LEU6 4.7 8.0 1.0 N A:LEU6 4.8 10.7 1.0 CB A:ASN5 4.8 15.6 1.0 O A:ASN5 4.9 9.3 1.0 C A:ASN5 4.9 10.6 1.0

Chlorine binding site 2 out of 6 in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of SPA15, A Type III Secretion Chaperone From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:62.8 occ:1.00 CB A:TYR123 4.0 11.9 1.0 O A:LEU119 4.0 12.8 1.0 CD1 A:ILE43 4.1 24.1 1.0 CD1 A:TYR123 4.3 19.0 1.0 CG A:TYR123 4.3 16.9 1.0 CD1 A:ILE17 4.3 36.4 1.0 O A:HOH369 4.3 48.6 1.0 CB A:LEU119 4.4 11.6 1.0 C A:LEU119 4.4 13.5 1.0 CD2 A:LEU37 4.7 26.7 1.0 N A:HIS120 4.8 10.7 1.0 CA A:LEU119 5.0 12.3 1.0

Chlorine binding site 3 out of 6 in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of SPA15, A Type III Secretion Chaperone From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:61.1 occ:1.00 O B:VAL109 3.8 11.8 1.0 CG2 B:VAL109 4.1 16.6 1.0 CG2 B:VAL52 4.2 13.1 1.0 CD2 B:LEU47 4.3 38.9 1.0 CB B:VAL109 4.3 12.0 1.0 CD1 B:LEU6 4.7 19.0 1.0 CE1 B:HIS110 4.8 33.8 1.0 ND1 B:HIS110 4.8 34.0 1.0 C B:VAL109 4.8 10.9 1.0 CA B:LEU6 4.8 15.6 1.0 N B:LEU6 4.9 18.2 1.0 CD2 B:LEU9 4.9 11.4 1.0 CB B:LEU6 5.0 14.6 1.0

Chlorine binding site 4 out of 6 in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of SPA15, A Type III Secretion Chaperone From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:70.1 occ:1.00 CD1 B:ILE43 4.1 21.7 1.0 CB B:TYR123 4.3 10.4 1.0 CD1 B:TYR123 4.3 20.6 1.0 O B:LEU119 4.4 10.1 1.0 CG B:TYR123 4.4 12.2 1.0 O B:HOH346 4.4 43.3 1.0 CD1 B:ILE17 4.5 42.8 1.0 CB B:LEU119 4.5 15.0 1.0 CD2 B:LEU37 4.6 28.8 1.0 C B:LEU119 4.7 14.5 1.0 CD1 B:LEU14 4.9 33.9 1.0

Chlorine binding site 5 out of 6 in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of SPA15, A Type III Secretion Chaperone From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:71.7 occ:1.00 O C:VAL109 3.5 9.8 1.0 CG2 C:VAL109 4.2 14.3 1.0 CB C:VAL109 4.4 12.4 1.0 CE1 C:HIS110 4.5 17.5 1.0 C C:VAL109 4.6 8.8 1.0 CD2 C:LEU9 4.6 15.5 1.0 CD1 C:LEU6 4.6 18.6 1.0 CD2 C:LEU47 4.6 41.0 1.0 CG2 C:VAL52 4.6 18.4 1.0 CB C:ASN5 4.7 14.3 1.0 N C:LEU6 4.7 11.9 1.0 CA C:LEU6 4.7 10.9 1.0 ND1 C:HIS110 4.7 23.3 1.0 C C:ASN5 4.8 11.4 1.0 O C:ASN5 4.8 9.9 1.0 CB C:LEU6 5.0 10.4 1.0

Chlorine binding site 6 out of 6 in the SPA15, A Type III Secretion Chaperone From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of SPA15, A Type III Secretion Chaperone From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl305 b:65.8 occ:1.00 O D:VAL109 4.1 12.3 1.0 CD2 D:LEU47 4.1 42.9 1.0 CG2 D:VAL109 4.4 15.2 1.0 CG2 D:VAL52 4.4 14.8 1.0 N D:LEU6 4.6 16.4 1.0 CB D:ASN5 4.6 24.5 1.0 CA D:LEU6 4.6 15.9 1.0 CD1 D:LEU6 4.6 17.8 1.0 CB D:VAL109 4.7 11.2 1.0 C D:ASN5 4.8 19.3 1.0 CB D:LEU6 4.8 13.2 1.0

A.Van Eerde, C.Hamiaux, J.Perez, C.Parsot, B.W.Dijkstra. Structure of SPA15, A Type III Secretion Chaperone From Shigella Flexneri with Broad Specificity. Embo Rep. V. 5 477 2004.
ISSN: ISSN 1469-221X
PubMed: 15088068
DOI: 10.1038/SJ.EMBOR.7400144