Iodine in PDB 3zhn: Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa

The structure of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa, PDB code: 3zhn was solved by C.S.Robb, M.Assmus, F.E.Nano, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.75 / 1.40
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.315, 41.637, 76.947, 90.00, 90.00, 90.00
R / Rfree (%)	16.127 / 20.187

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa (pdb code 3zhn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa, PDB code: 3zhn:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1139 b:13.3 occ:1.00 H A:GLN128 2.9 8.2 1.0 HG2 A:GLN128 3.1 7.3 1.0 H A:ALA127 3.2 8.4 1.0 HB1 A:ALA127 3.4 10.9 1.0 HA3 A:GLY126 3.5 8.4 1.0 N A:GLN128 3.7 8.7 1.0 HB1 A:ALA129 3.7 10.2 1.0 N A:ALA127 3.7 9.1 1.0 CG A:GLN128 4.0 9.3 1.0 H A:ALA129 4.0 8.4 1.0 O A:HOH2023 4.0 10.8 1.0 HG3 A:GLN128 4.1 9.7 1.0 CB A:ALA127 4.2 11.9 1.0 N A:ALA129 4.3 8.6 1.0 CA A:GLY126 4.3 9.0 1.0 C A:GLY126 4.3 8.3 1.0 CA A:ALA127 4.4 10.1 1.0 CA A:GLN128 4.5 8.7 1.0 CB A:ALA129 4.5 11.0 1.0 HB3 A:ALA129 4.5 10.9 1.0 C A:ALA127 4.5 7.7 1.0 HB3 A:ALA127 4.5 12.3 1.0 C A:GLN128 4.6 8.8 1.0 HA2 A:GLY126 4.7 9.0 1.0 CB A:GLN128 4.8 9.4 1.0 HE21 A:GLN128 4.8 12.2 1.0 CD A:GLN128 4.9 11.1 1.0 HB2 A:ALA127 4.9 10.9 1.0 CA A:ALA129 5.0 8.2 1.0

Iodine binding site 2 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1140 b:14.5 occ:0.90 HE1 A:TRP107 2.7 8.7 1.0 NE1 A:TRP107 3.6 10.6 1.0 HZ2 A:TRP107 3.8 10.3 1.0 HA A:ASP103 3.9 12.8 1.0 O A:HOH2109 3.9 18.1 1.0 O A:HOH2066 4.0 53.1 1.0 O A:LEU102 4.1 12.3 1.0 HB3 A:LEU102 4.1 10.4 1.0 CE2 A:TRP107 4.4 11.3 1.0 CZ2 A:TRP107 4.4 10.7 1.0 C A:LEU102 4.5 11.2 1.0 O A:HOH2111 4.6 30.2 1.0 CD1 A:TRP107 4.6 11.1 1.0 CA A:ASP103 4.8 13.3 1.0 HD1 A:TRP107 4.8 9.5 1.0 HB2 A:LEU102 4.8 9.4 1.0 N A:ASP103 4.8 10.8 1.0 CB A:LEU102 4.9 9.4 1.0

Iodine binding site 3 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1141 b:15.4 occ:0.75 H A:ASP50 2.8 11.9 1.0 HA A:ALA49 3.1 9.3 1.0 HB3 A:ALA53 3.5 16.4 1.0 HB1 A:ALA53 3.6 16.5 1.0 N A:ASP50 3.6 12.5 1.0 HB2 A:ASP50 3.7 10.4 1.0 HB2 A:ALA53 3.7 16.1 1.0 HB2 A:ALA49 3.7 9.6 1.0 CB A:ALA53 3.8 17.4 1.0 CA A:ALA49 3.9 9.2 1.0 HG21 A:THR61 4.1 17.7 1.0 O A:HOH2068 4.2 42.7 1.0 CB A:ALA49 4.2 10.5 1.0 HG22 A:THR61 4.3 18.2 1.0 C A:ALA49 4.3 10.0 1.0 O A:HOH2062 4.4 29.1 1.0 CB A:ASP50 4.4 10.4 1.0 HB3 A:ALA49 4.4 10.4 1.0 CG A:ASP50 4.5 10.8 1.0 CA A:ASP50 4.6 10.6 1.0 CG2 A:THR61 4.7 18.2 1.0 OD1 A:ASP50 4.7 12.3 1.0 OD2 A:ASP50 4.9 13.0 1.0 O A:ARG48 4.9 14.1 1.0

Iodine binding site 4 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1142 b:24.6 occ:0.40 O A:HOH2117 2.5 26.5 1.0 O A:HOH2116 2.7 34.7 1.0 H A:ARG108 2.9 8.9 1.0 HA A:THR106 3.0 9.2 1.0 H A:TRP107 3.0 8.6 1.0 HB3 A:ARG108 3.4 10.7 1.0 HG21 A:THR106 3.5 10.8 1.0 N A:TRP107 3.6 9.1 1.0 N A:ARG108 3.7 8.6 1.0 CA A:THR106 3.8 9.2 1.0 O A:ARG108 3.9 11.3 1.0 O A:HOH2118 4.0 25.3 1.0 O A:ALA105 4.0 11.1 1.0 C A:THR106 4.1 9.1 1.0 CD1 A:TRP107 4.2 11.1 1.0 CB A:ARG108 4.2 10.2 1.0 CG2 A:THR106 4.3 11.2 1.0 NE1 A:TRP107 4.3 10.6 1.0 HG23 A:THR106 4.3 10.9 1.0 CA A:ARG108 4.4 9.6 1.0 HD1 A:TRP107 4.4 9.5 1.0 CG A:TRP107 4.4 8.8 1.0 HE1 A:TRP107 4.5 8.7 1.0 CA A:TRP107 4.5 10.1 1.0 HB2 A:ARG108 4.6 9.4 1.0 C A:TRP107 4.6 8.3 1.0 CE2 A:TRP107 4.6 11.3 1.0 C A:ARG108 4.6 8.3 1.0 CB A:THR106 4.6 10.1 1.0 HH21 A:ARG108 4.6 12.0 1.0 O A:HOH2109 4.6 18.1 1.0 CD2 A:TRP107 4.7 9.0 1.0 HE A:ARG108 4.7 11.3 1.0 C A:ALA105 4.9 10.7 1.0 N A:THR106 4.9 9.1 1.0

Iodine binding site 5 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1143 b:28.1 occ:0.40 I A:IOD1143 0.0 28.1 0.4 I A:IOD1143 2.6 34.9 0.2 HA A:ALA53 3.1 11.4 1.0 HB3 A:PHE52 3.5 15.8 1.0 HB2 A:ASN57 3.8 20.5 1.0 CA A:ALA53 3.8 13.1 1.0 N A:ALA53 3.9 12.7 1.0 O A:PHE52 3.9 16.9 1.0 C A:PHE52 3.9 14.1 1.0 HB3 A:ASN57 4.0 24.1 0.0 HB3 A:ALA53 4.0 16.4 1.0 HB2 A:PHE52 4.0 16.4 1.0 CB A:PHE52 4.1 16.1 1.0 H A:ALA53 4.3 12.6 1.0 CB A:ASN57 4.3 23.5 1.0 HB2 A:ASP56 4.3 22.6 1.0 CB A:ALA53 4.4 17.4 1.0 HB2 A:ALA53 4.7 16.1 1.0 CA A:PHE52 4.7 14.5 1.0 O A:HOH2078 5.0 31.3 1.0

Iodine binding site 6 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1143 b:34.9 occ:0.22 I A:IOD1143 0.0 34.9 0.2 O A:HOH2072 2.6 24.1 1.0 I A:IOD1143 2.6 28.1 0.4 HB2 A:PHE52 2.9 16.4 1.0 HB3 A:ALA53 3.4 16.4 1.0 HB3 A:PHE52 3.6 15.8 1.0 H A:ALA53 3.6 12.6 1.0 CB A:PHE52 3.7 16.1 1.0 N A:ALA53 3.8 12.7 1.0 HB2 A:ASP50 4.0 10.4 1.0 HA A:ALA53 4.0 11.4 1.0 CB A:ALA53 4.2 17.4 1.0 C A:PHE52 4.2 14.1 1.0 HD2 A:PHE52 4.2 20.1 1.0 CA A:ALA53 4.2 13.1 1.0 HB3 A:ASP50 4.4 10.3 1.0 CA A:PHE52 4.4 14.5 1.0 H A:PHE52 4.6 11.2 1.0 CB A:ASP50 4.6 10.4 1.0 HB1 A:ALA53 4.8 16.5 1.0 OD2 A:ASP50 4.8 13.0 1.0 CG A:PHE52 4.8 17.1 1.0 HB2 A:ALA53 4.8 16.1 1.0 CD2 A:PHE52 4.8 20.5 1.0 N A:PHE52 4.9 11.8 1.0 O A:PHE52 4.9 16.9 1.0

Iodine binding site 7 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1144 b:24.4 occ:0.48 HG1 A:THR44 2.6 17.3 0.0 OG1 A:THR44 3.4 17.3 1.0 HG22 A:THR44 3.5 13.4 1.0 HB A:THR44 4.0 12.3 1.0 CB A:THR44 4.1 11.6 1.0 CG2 A:THR44 4.2 14.4 1.0 O A:HOH2059 4.6 15.9 1.0 HG21 A:THR44 4.8 15.0 1.0 HG23 A:THR44 4.8 14.0 1.0

Iodine binding site 8 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1145 b:27.9 occ:0.46 HH11 A:ARG48 2.6 14.4 1.0 O A:HOH2033 2.8 35.6 1.0 HB3 A:ALA45 3.2 12.7 1.0 HA A:ALA45 3.2 10.3 1.0 HD2 A:ARG48 3.3 17.4 1.0 NH1 A:ARG48 3.4 14.8 1.0 HH12 A:ARG48 3.6 14.8 1.0 HG23 A:THR44 3.8 14.0 1.0 CB A:ALA45 3.9 13.2 1.0 CA A:ALA45 3.9 10.7 1.0 HD3 A:ARG48 3.9 17.6 1.0 CD A:ARG48 4.0 18.2 1.0 HB2 A:ALA45 4.1 12.7 1.0 N A:ALA45 4.2 10.7 1.0 H A:ALA45 4.4 9.7 1.0 CZ A:ARG48 4.5 14.6 1.0 HB2 A:ARG48 4.5 13.2 1.0 O A:HOH2062 4.6 29.1 1.0 NE A:ARG48 4.7 14.8 1.0 CG2 A:THR44 4.7 14.4 1.0 HB1 A:ALA45 4.7 13.8 1.0 C A:THR44 4.8 10.3 1.0 HB A:THR44 4.8 12.3 1.0 HG22 A:THR44 4.9 13.4 1.0 O A:THR44 5.0 12.1 1.0

Iodine binding site 9 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1146 b:34.6 occ:0.79 HD2 A:PRO76 3.1 11.8 1.0 HG3 A:PRO32 3.2 14.0 1.0 HE A:ARG75 3.3 43.8 1.0 HD3 A:PRO32 3.3 11.1 1.0 HD3 A:ARG75 3.7 28.3 1.0 O A:HOH2018 3.7 24.8 1.0 HD3 A:PRO76 3.8 11.4 1.0 CD A:PRO76 3.9 11.9 1.0 HB3 A:ARG75 3.9 15.0 1.0 CG A:PRO32 3.9 13.9 1.0 HG2 A:PRO76 4.0 12.1 1.0 NE A:ARG75 4.0 43.1 1.0 CD A:PRO32 4.0 11.9 1.0 HG2 A:ARG75 4.2 20.4 1.0 HA A:ALA31 4.2 9.8 1.0 CD A:ARG75 4.3 30.3 1.0 HG2 A:PRO32 4.3 12.2 1.0 CG A:PRO76 4.4 13.0 1.0 O A:HOH2088 4.5 30.4 1.0 CG A:ARG75 4.5 20.6 1.0 CB A:ARG75 4.6 14.8 1.0 N A:PRO32 4.7 9.6 1.0 HA A:ARG75 4.8 11.4 1.0 HD2 A:PRO32 4.8 11.6 1.0 HH21 A:ARG75 4.9 58.9 1.0 O A:HOH2044 5.0 17.9 1.0 HG3 A:PRO76 5.0 12.7 1.0

Iodine binding site 10 out of 13 in the Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:I1147 b:33.1 occ:0.33 O A:HOH2118 2.3 25.3 1.0 O A:HOH2028 2.6 25.9 1.0 HG2 A:ARG108 2.9 11.6 1.0 HG11 A:VAL110 3.2 17.4 1.0 HE A:ARG108 3.3 11.3 1.0 O A:HOH2120 3.4 16.9 1.0 HG21 A:VAL110 3.5 15.8 1.0 HA A:GLN109 3.6 10.7 1.0 O A:HOH2064 3.6 28.6 1.0 H A:VAL110 3.8 9.8 1.0 CG A:ARG108 3.8 11.3 1.0 O A:HOH2116 3.9 34.7 1.0 HD2 A:ARG108 4.0 10.4 1.0 NE A:ARG108 4.0 11.4 1.0 CG1 A:VAL110 4.1 18.1 1.0 O A:ARG108 4.1 11.3 1.0 N A:VAL110 4.1 9.5 1.0 HA2 A:GLY47 4.1 11.5 1.0 CD A:ARG108 4.2 10.9 1.0 HB3 A:ARG108 4.2 10.7 1.0 CG2 A:VAL110 4.2 16.2 1.0 HG23 A:VAL110 4.2 16.2 1.0 CA A:GLN109 4.2 10.2 1.0 HG12 A:VAL110 4.3 17.2 1.0 C A:GLN109 4.3 9.6 1.0 C A:ARG108 4.3 8.3 1.0 HG3 A:ARG108 4.4 11.1 1.0 N A:GLN109 4.4 9.4 1.0 CB A:ARG108 4.5 10.2 1.0 HA3 A:GLY47 4.5 10.8 1.0 CB A:VAL110 4.6 13.7 1.0 HG13 A:VAL110 4.7 17.2 1.0 CA A:GLY47 4.8 11.4 1.0 HE2 A:PHE46 4.9 11.5 1.0 O A:GLN109 4.9 10.4 1.0 CA A:VAL110 4.9 11.3 1.0 H A:GLN109 4.9 8.9 1.0

C.S.Robb, M.Assmus, F.E.Nano, A.B.Boraston. Structure of the T6SS Lipoprotein TSSJ1 From Pseudomonas Aeruginosa. Acta Crystallogr.,Sect.F V. 69 607 2013.
ISSN: ISSN 1744-3091
PubMed: 23722835
DOI: 10.1107/S1744309113012220