Chlorine in PDB 6w4q: Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120

The structure of Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120, PDB code: 6w4q was solved by J.Greenfield, O.Herzberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.36 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.992, 259.009, 269.696, 90, 90, 90
R / Rfree (%)	16.7 / 18.8

The binding sites of Chlorine atom in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 (pdb code 6w4q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120, PDB code: 6w4q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


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 Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1028 b:22.5 occ:1.00 ND2 A:ASN565 3.3 22.0 1.0 ND2 B:ASN565 3.3 20.6 1.0 ND2 C:ASN565 3.4 18.8 1.0 CB B:ASN565 3.6 18.7 1.0 CB A:ASN565 3.6 19.1 1.0 CB C:ASN565 3.6 19.4 1.0 CG B:ASN565 3.9 21.6 1.0 CG A:ASN565 4.0 23.3 1.0 CG2 B:ILE533 4.0 34.3 1.0 CG C:ASN565 4.0 22.2 1.0 CG2 A:ILE533 4.0 31.6 1.0 CG2 C:ILE533 4.1 35.1 1.0 CD1 B:ILE533 4.6 30.1 1.0 CD1 A:ILE533 4.6 35.2 1.0 CD1 C:ILE533 4.7 30.3 1.0 CA B:ASN565 4.9 20.5 1.0 CA A:ASN565 5.0 20.2 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


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 Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1029 b:40.8 occ:1.00 NH2 A:ARG284 3.4 42.8 1.0 NH2 B:ARG284 3.5 47.7 1.0 NH2 C:ARG284 3.5 58.0 1.0 NH1 A:ARG284 3.7 39.0 1.0 NH1 B:ARG284 3.9 47.4 1.0 NH1 C:ARG284 3.9 51.2 1.0 CZ A:ARG284 4.0 42.5 1.0 CZ C:ARG284 4.1 61.2 1.0 CZ B:ARG284 4.2 47.5 1.0 CG1 A:ILE264 4.3 36.1 1.0 CG1 B:ILE264 4.3 30.9 1.0 CG1 C:ILE264 4.5 35.7 1.0 CG2 C:ILE264 4.7 39.2 1.0 CG2 A:ILE264 4.8 33.0 1.0 CG2 B:ILE264 4.8 30.8 1.0 CB B:ILE264 4.8 32.2 1.0 CB A:ILE264 4.8 34.9 1.0 CB C:ILE264 4.9 34.1 1.0 O A:HOH1659 4.9 61.8 1.0 CD1 B:ILE286 4.9 33.5 1.0 CD1 C:ILE286 5.0 34.0 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


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 Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1030 b:61.2 occ:1.00 O A:HOH1248 3.0 29.8 1.0 N A:ILE921 3.2 29.5 1.0 O A:HOH1872 3.3 44.1 1.0 CE1 A:HIS922 3.4 72.7 1.0 O A:HOH1869 3.6 49.9 1.0 ND1 A:HIS922 3.7 67.0 1.0 NE2 A:HIS922 3.9 70.9 1.0 OG A:SER920 3.9 44.7 1.0 CA A:SER920 3.9 33.9 1.0 C A:SER920 4.1 31.5 1.0 CA A:ILE921 4.1 35.6 1.0 CB A:ILE921 4.1 36.7 1.0 N A:HIS922 4.2 46.6 1.0 CG A:HIS922 4.2 69.5 1.0 CG1 A:ILE921 4.3 36.5 1.0 CD2 A:HIS922 4.3 68.6 1.0 CB A:SER920 4.4 36.6 1.0 C A:ILE921 4.5 38.6 1.0 O D:HOH1406 4.6 44.2 1.0 O A:HOH1890 4.6 54.1 1.0 OH A:TYR707 4.7 28.7 1.0 O D:HOH1435 4.8 42.7 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


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 Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1021 b:71.3 occ:1.00 O B:HOH1416 3.0 30.1 1.0 O1 B:GOL1014 3.2 49.5 1.0 O B:THR687 3.6 22.6 1.0 O B:LEU689 3.8 20.4 1.0 CE1 B:TYR684 4.0 24.4 1.0 CG2 B:THR687 4.1 19.7 1.0 OH B:TYR684 4.1 28.0 1.0 CZ B:TYR684 4.2 27.8 1.0 C1 B:GOL1014 4.4 61.6 1.0 O B:HOH1332 4.4 32.4 1.0 C B:THR687 4.4 26.2 1.0 CA B:GLY688 4.4 21.3 1.0 O B:HOH1188 4.5 36.9 1.0 C B:GLY688 4.6 21.8 1.0 O2 B:GOL1014 4.6 60.2 1.0 N B:LEU689 4.7 21.0 1.0 C2 B:GOL1014 4.8 60.9 1.0 CD1 B:TYR684 4.8 25.5 1.0 C B:LEU689 4.9 24.5 1.0 N B:GLY688 4.9 20.3 1.0 O B:GLY688 4.9 22.6 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1005 b:30.9 occ:1.00 ND2 D:ASN565 3.2 27.6 1.0 ND2 F:ASN565 3.3 33.0 1.0 ND2 E:ASN565 3.3 29.8 1.0 CB F:ASN565 3.6 31.1 1.0 CB E:ASN565 3.6 29.2 1.0 CB D:ASN565 3.6 27.6 1.0 CG F:ASN565 3.9 37.4 1.0 CG D:ASN565 3.9 33.8 1.0 CG E:ASN565 4.0 31.9 1.0 CG2 D:ILE533 4.1 44.3 1.0 CG2 E:ILE533 4.2 40.8 1.0 CG2 F:ILE533 4.3 44.8 1.0 CD1 D:ILE533 4.6 42.6 1.0 CD1 F:ILE533 4.6 40.7 1.0 CA F:ASN565 5.0 30.3 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1006 b:56.8 occ:1.00 O D:HOH1116 3.5 46.5 1.0 N D:ASN673 3.6 37.2 1.0 O D:HOH1527 3.8 55.4 1.0 CB D:ASN673 3.9 43.8 1.0 O D:HOH1282 3.9 53.1 1.0 CB D:ASN643 4.0 35.8 1.0 ND2 D:ASN643 4.1 39.3 1.0 ND2 D:ASN673 4.1 42.9 1.0 CG D:ASN673 4.2 50.1 1.0 CA D:ASN673 4.3 41.9 1.0 C D:THR672 4.5 35.7 1.0 CA D:THR672 4.5 38.0 1.0 CG D:ASN643 4.6 38.0 1.0 OG1 D:THR672 4.8 43.0 1.0 O D:HOH1290 4.9 47.7 1.0 OD1 D:ASN673 5.0 47.1 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Full-Length Tailspike Protein 2 (TSP2, ORF211) ) From Escherichia Coli O157:H7 Bacteriophage CAB120 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1008 b:41.2 occ:1.00 NH2 E:ARG284 3.3 47.8 1.0 NH2 D:ARG284 3.5 54.9 1.0 NH1 F:ARG284 3.5 47.4 1.0 NH2 F:ARG284 3.5 51.2 1.0 NH1 E:ARG284 3.7 46.0 1.0 NH1 D:ARG284 3.8 46.6 1.0 CZ F:ARG284 4.0 59.8 1.0 CZ E:ARG284 4.0 47.2 1.0 CZ D:ARG284 4.1 49.0 1.0 CG1 F:ILE264 4.3 37.5 1.0 CG1 D:ILE264 4.3 34.1 1.0 CG1 E:ILE264 4.4 44.6 1.0 CG2 F:ILE264 4.7 41.4 1.0 CB F:ILE264 4.7 37.6 1.0 CG2 E:ILE264 4.8 39.1 1.0 CD1 F:ILE286 4.8 37.8 1.0 CG2 D:ILE264 4.9 35.1 1.0 CB D:ILE264 4.9 36.8 1.0 CB E:ILE264 4.9 43.1 1.0 CD1 E:ILE286 5.0 36.6 1.0 CD1 D:ILE286 5.0 35.5 1.0

J.Greenfield, X.Shang, H.Luo, Y.Zhou, S.B.Linden, R.D.Heselpoth, P.G.Leiman, D.C.Nelson, O.Herzberg. Structure and Function of Bacteriophage CBA120 ORF211 (TSP2), the Determinant of Phage Specificity Towards E. Coli O157:H7. Sci Rep V. 10 15402 2020.
ISSN: ESSN 2045-2322
PubMed: 32958885
DOI: 10.1038/S41598-020-72373-0