Iodine in PDB 7mzp: Crystal Structure of the Ucld Lectin-Binding Domain

The structure of Crystal Structure of the Ucld Lectin-Binding Domain, PDB code: 7mzp was solved by T.Ve, A.W.Lo, M.A.Schembri, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.85 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.04, 58.12, 175.42, 90, 90, 90
R / Rfree (%)	24.8 / 30.6

The binding sites of Iodine atom in the Crystal Structure of the Ucld Lectin-Binding Domain (pdb code 7mzp). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of the Ucld Lectin-Binding Domain, PDB code: 7mzp:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 Ucld Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:22.0 occ:1.00 HB3 A:TRP123 3.0 26.8 1.0 HD2 A:PRO124 3.3 29.1 1.0 HB3 A:ALA125 3.4 30.4 1.0 H A:ALA125 3.5 26.1 1.0 HB2 A:ALA125 3.6 30.4 1.0 CB A:ALA125 3.9 25.0 1.0 CB A:TRP123 4.0 22.1 1.0 HG2 A:PRO124 4.0 29.1 1.0 CD A:PRO124 4.2 23.9 1.0 HB2 A:TRP123 4.2 26.8 1.0 N A:ALA125 4.3 21.5 1.0 HE3 A:TRP123 4.4 26.8 1.0 CG A:TRP123 4.6 19.6 1.0 CG A:PRO124 4.6 23.9 1.0 HB1 A:ALA125 4.7 30.4 1.0 N A:PRO124 4.7 21.6 1.0 CA A:ALA125 4.8 21.4 1.0 CE3 A:TRP123 4.8 22.0 1.0 CD2 A:TRP123 4.9 19.5 1.0 HD3 A:PRO124 4.9 29.1 1.0 C A:TRP123 4.9 23.9 1.0 CA A:TRP123 5.0 23.1 1.0

Iodine binding site 2 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 Ucld Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:25.2 occ:1.00 H A:LEU73 2.8 23.4 1.0 HB3 A:LYS191 3.1 25.7 1.0 HH11 A:ARG192 3.1 27.1 1.0 HB3 A:ARG192 3.2 27.2 1.0 H A:ARG192 3.3 19.4 1.0 HA A:ALA72 3.3 22.0 1.0 HG2 A:ARG192 3.4 27.2 1.0 HG A:LEU73 3.4 25.6 1.0 N A:LEU73 3.7 19.2 1.0 NH1 A:ARG192 3.7 22.3 1.0 HH12 A:ARG192 3.8 27.1 1.0 HB1 A:ALA72 3.8 29.8 1.0 N A:ARG192 3.9 17.0 1.0 HB2 A:LEU73 3.9 23.7 1.0 CB A:ARG192 4.0 22.3 1.0 CB A:LYS191 4.1 21.1 1.0 CG A:ARG192 4.1 22.3 1.0 CA A:ALA72 4.1 18.0 1.0 CG A:LEU73 4.2 21.0 1.0 CB A:ALA72 4.3 24.5 1.0 H A:LYS191 4.3 24.3 1.0 C A:ALA72 4.4 19.1 1.0 CB A:LEU73 4.4 19.5 1.0 HD3 A:ARG192 4.4 26.1 1.0 HG3 A:LYS191 4.5 28.6 1.0 HB2 A:ALA72 4.5 29.8 1.0 CA A:ARG192 4.5 22.1 1.0 HB2 A:LYS191 4.5 25.7 1.0 CA A:LEU73 4.6 17.4 1.0 HG2 A:LYS191 4.6 28.6 1.0 CG A:LYS191 4.7 23.5 1.0 HD12 A:LEU73 4.7 25.2 1.0 C A:LYS191 4.7 21.8 1.0 CZ A:ARG192 4.7 23.7 1.0 CD A:ARG192 4.7 21.4 1.0 HB2 A:ARG192 4.7 27.2 1.0 CA A:LYS191 4.8 20.2 1.0 N A:LYS191 4.8 19.9 1.0 O A:LEU73 4.8 19.4 1.0 HB1 A:ALA190 4.8 21.6 1.0 HA A:ARG192 4.8 26.9 1.0 HG3 A:ARG192 4.8 27.2 1.0

Iodine binding site 3 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 Ucld Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:56.3 occ:1.00 O A:HOH422 3.1 17.4 1.0 HG21 A:THR149 3.4 29.1 1.0 HA3 A:GLY142 3.6 32.5 1.0 HG23 A:THR149 4.1 29.1 1.0 CG2 A:THR149 4.2 24.0 1.0 H A:GLY142 4.5 28.6 1.0 CA A:GLY142 4.5 26.8 1.0 HG22 A:THR149 4.6 29.1 1.0 HB2 A:PRO140 4.6 28.1 1.0 HG1 A:THR149 4.7 33.0 1.0 HA2 A:GLY142 4.9 32.5 1.0 O A:HOH456 4.9 23.3 1.0 N A:GLY142 5.0 23.5 1.0

Iodine binding site 4 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 Ucld Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:48.8 occ:1.00 HA A:PRO22 3.1 31.3 1.0 HB2 A:ALA70 3.3 29.7 1.0 O A:HOH461 3.6 29.0 1.0 HG3 A:PRO22 3.6 32.3 1.0 N A:PRO22 3.7 24.1 1.0 CA A:PRO22 3.8 25.8 1.0 C A:GLY21 3.8 25.4 1.0 O A:GLY21 3.9 29.8 1.0 HB3 A:PRO22 4.1 33.0 1.0 CG A:PRO22 4.2 26.6 1.0 HD3 A:PRO22 4.2 28.8 1.0 CB A:ALA70 4.2 24.4 1.0 HA2 A:GLY21 4.3 29.2 1.0 CB A:PRO22 4.3 27.2 1.0 CD A:PRO22 4.3 23.6 1.0 CA A:GLY21 4.5 24.0 1.0 HB3 A:ALA70 4.7 29.7 1.0 HB1 A:ALA70 4.7 29.7 1.0 H A:ALA70 4.7 27.9 1.0 N A:GLY21 4.8 21.7 1.0 HA A:ALA70 4.8 26.6 1.0 N A:ALA70 4.8 23.0 1.0 CA A:ALA70 4.9 21.9 1.0

Iodine binding site 5 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 Ucld Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:72.9 occ:1.00 HA A:ILE30 2.9 28.4 1.0 H A:ALA31 3.0 28.6 1.0 HB2 A:ASN62 3.7 32.2 1.0 N A:ALA31 3.7 23.6 1.0 HG13 A:ILE30 3.8 28.9 1.0 O A:GLN29 3.8 25.5 1.0 CA A:ILE30 3.9 23.3 1.0 HB3 A:ALA31 4.2 31.8 1.0 C A:ILE30 4.3 24.4 1.0 HD22 A:ASN62 4.4 22.5 1.0 O A:ALA31 4.4 21.6 1.0 HB A:THR60 4.4 28.3 1.0 HG3 A:GLN29 4.5 26.8 1.0 C A:GLN29 4.6 26.4 1.0 CB A:ASN62 4.6 26.6 1.0 CG1 A:ILE30 4.7 23.8 1.0 N A:ILE30 4.7 19.6 1.0 CA A:ALA31 4.7 26.6 1.0 CB A:ILE30 4.8 23.2 1.0 CB A:ALA31 4.8 26.2 1.0 ND2 A:ASN62 4.8 18.5 1.0 HB A:ILE30 4.8 28.2 1.0 HB2 A:ALA31 4.8 31.8 1.0 O A:SER61 4.9 22.3 1.0 HG21 A:THR60 4.9 33.0 1.0 O A:HOH460 5.0 31.8 1.0 HB3 A:ASN62 5.0 32.2 1.0

Iodine binding site 6 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 Ucld Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:45.4 occ:1.00 HZ2 A:LYS84 2.8 49.1 1.0 H B:ALA31 2.9 29.8 1.0 HA B:ILE30 2.9 30.5 1.0 HG13 B:ILE30 3.4 27.4 1.0 HB2 B:ASN62 3.5 26.1 1.0 NZ A:LYS84 3.6 40.6 1.0 N B:ALA31 3.6 24.5 1.0 HZ3 A:LYS84 3.8 49.1 1.0 CA B:ILE30 3.9 25.1 1.0 HD3 A:LYS84 3.9 39.5 1.0 HB B:THR60 4.0 28.9 1.0 O B:GLN29 4.0 30.5 1.0 O B:ALA31 4.2 21.8 1.0 HE2 A:LYS84 4.2 40.8 1.0 HZ1 A:LYS84 4.2 49.1 1.0 HB3 B:ALA31 4.3 26.9 1.0 C B:ILE30 4.3 25.4 1.0 CG1 B:ILE30 4.3 22.6 1.0 HD22 B:ASN62 4.3 28.4 1.0 CE A:LYS84 4.4 33.7 1.0 CB B:ASN62 4.4 21.4 1.0 HG12 B:ILE30 4.6 27.4 1.0 CB B:ILE30 4.6 22.4 1.0 HG21 B:THR60 4.6 31.0 1.0 CD A:LYS84 4.6 32.6 1.0 HG1 B:THR60 4.6 32.4 1.0 CA B:ALA31 4.7 26.2 1.0 ND2 B:ASN62 4.7 23.3 1.0 C B:GLN29 4.7 25.0 1.0 HB B:ILE30 4.8 27.2 1.0 N B:ILE30 4.8 25.8 1.0 HG3 B:GLN29 4.8 31.4 1.0 O B:SER61 4.8 25.7 1.0 CB B:THR60 4.8 23.8 1.0 CG B:ASN62 4.8 23.6 1.0 C B:ALA31 4.9 24.6 1.0 CB B:ALA31 4.9 22.1 1.0 HB3 B:ASN62 4.9 26.1 1.0

S.Hancock, A.W.Lo, T.Ve, C.J.Day, L.Tan, A.Mendez, M.Phan, N.Nhu, K.M.Peters, A.Richards, B.A.Fleming, B.M.Forde, T.Haselhorst, K.G.K.Goh, X.Jia, M.Mobli, S.A.Beatson, M.P.Jennings, M.A.Mulvey, B.Kobe, M.A.Schembri. Regulatory and Binding Specificity Features of Escherichia Coli Ucl Fimbriae To Be Published.