Chlorine in PDB 7mzo: Crystal Structure of the Ucad Lectin-Binding Domain

The structure of Crystal Structure of the Ucad Lectin-Binding Domain, PDB code: 7mzo 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)	38.70 / 1.62
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	77.39, 77.39, 70.91, 90, 90, 90
R / Rfree (%)	16.9 / 19.2

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

Chlorine binding site 1 out of 5 in the Crystal Structure of the Ucad Lectin-Binding Domain


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 the Ucad Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:19.0 occ:1.00 HD22 A:ASN98 2.3 26.9 1.0 H A:PHE93 2.5 25.0 1.0 HB2 A:ASN98 2.9 31.7 1.0 O A:HOH433 3.0 23.8 1.0 HB2 A:PHE93 3.0 22.1 1.0 HZ A:PHE104 3.1 18.8 1.0 HA A:ASN92 3.1 26.1 1.0 HD22 A:LEU129 3.2 21.2 1.0 ND2 A:ASN98 3.2 22.4 1.0 O A:HOH513 3.2 25.4 1.0 N A:PHE93 3.3 20.8 1.0 HD1 A:PHE93 3.3 19.3 1.0 OD1 A:ASN92 3.5 26.3 1.0 HD13 A:LEU129 3.6 22.0 1.0 CB A:ASN98 3.7 26.4 1.0 HD21 A:ASN98 3.7 26.9 1.0 HD21 A:LEU129 3.9 21.2 1.0 CB A:PHE93 3.9 18.5 1.0 CD2 A:LEU129 3.9 17.6 1.0 HE1 A:PHE104 3.9 16.7 1.0 CZ A:PHE104 4.0 15.6 1.0 CG A:ASN98 4.0 30.9 1.0 HB3 A:ASN98 4.0 31.7 1.0 CA A:ASN92 4.0 21.7 1.0 HG3 A:PRO131 4.1 22.6 1.0 C A:ASN92 4.1 19.7 1.0 CD1 A:PHE93 4.1 16.1 1.0 CA A:PHE93 4.2 15.7 1.0 HB3 A:LEU129 4.2 21.3 1.0 CE1 A:PHE104 4.4 13.9 1.0 CD1 A:LEU129 4.4 18.3 1.0 CG A:ASN92 4.5 23.2 1.0 CG A:PHE93 4.5 14.8 1.0 HD11 A:LEU129 4.6 22.0 1.0 H A:ASN98 4.6 26.8 1.0 O A:TYR91 4.6 19.2 1.0 O A:HOH407 4.6 25.3 1.0 HB3 A:PHE93 4.6 22.1 1.0 CG A:LEU129 4.6 16.3 1.0 HD23 A:LEU129 4.7 21.2 1.0 O A:GLN100 4.7 26.9 1.0 HB2 A:SER102 4.7 23.7 1.0 O A:PHE93 4.8 22.1 1.0 CB A:ASN92 4.8 22.4 1.0 HA A:PHE93 4.9 18.9 1.0 CB A:LEU129 5.0 17.7 1.0 N A:ASN92 5.0 22.0 1.0 CA A:ASN98 5.0 24.5 1.0 C A:PHE93 5.0 22.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Ucad Lectin-Binding Domain


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 the Ucad Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:24.6 occ:1.00 H A:THR31 2.6 18.9 1.0 HA A:ILE30 2.6 19.7 1.0 HB2 A:ASN62 3.0 17.8 1.0 HG13 A:ILE30 3.1 16.8 1.0 O A:HOH458 3.1 30.1 1.0 O A:HOH510 3.2 27.2 1.0 O A:HOH497 3.2 41.2 1.0 N A:THR31 3.3 15.7 1.0 HD22 A:ASN62 3.5 23.0 1.0 CA A:ILE30 3.5 16.4 1.0 HB A:THR31 3.8 25.3 1.0 O A:PRO29 3.9 17.0 1.0 CG1 A:ILE30 3.9 14.0 1.0 CB A:ASN62 3.9 14.8 1.0 C A:ILE30 4.0 16.1 1.0 O A:HOH607 4.0 44.5 1.0 O A:THR31 4.1 14.5 1.0 ND2 A:ASN62 4.1 19.1 1.0 CB A:ILE30 4.2 13.8 1.0 O A:SER61 4.3 19.3 1.0 HB A:ILE30 4.3 16.5 1.0 HG12 A:ILE30 4.3 16.8 1.0 CA A:THR31 4.3 16.0 1.0 CG A:ASN62 4.4 18.7 1.0 O A:HOH437 4.4 27.6 1.0 CB A:THR31 4.4 21.1 1.0 HB3 A:ASN62 4.4 17.8 1.0 HB A:THR60 4.5 22.8 1.0 N A:ILE30 4.5 15.8 1.0 C A:PRO29 4.6 17.4 1.0 OG1 A:THR31 4.6 23.6 1.0 HD21 A:ASN62 4.7 23.0 1.0 C A:THR31 4.7 17.0 1.0 C A:SER61 4.8 15.4 1.0 O A:HOH598 4.8 41.2 1.0 HA A:ASN62 4.8 22.9 1.0 CA A:ASN62 4.8 19.1 1.0 HG1 A:THR60 4.9 22.5 1.0 HG1 A:THR31 5.0 28.3 1.0 N A:ASN62 5.0 14.5 1.0 CD1 A:ILE30 5.0 15.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Ucad Lectin-Binding Domain


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 the Ucad Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:29.8 occ:1.00 H A:GLN63 2.3 19.4 1.0 O A:HOH555 2.9 30.5 1.0 HA A:ASN62 3.0 22.9 1.0 O A:HOH462 3.0 27.2 1.0 O A:HOH598 3.1 41.2 1.0 N A:GLN63 3.1 16.2 1.0 HB3 A:GLN63 3.3 22.8 1.0 HB2 A:GLN63 3.5 22.8 1.0 O A:HOH518 3.6 36.1 1.0 CB A:GLN63 3.7 19.0 1.0 HD2 A:TYR64 3.8 26.4 1.0 CA A:ASN62 3.8 19.1 1.0 OD1 A:ASN62 3.8 17.6 1.0 C A:ASN62 4.0 14.0 1.0 CA A:GLN63 4.0 17.4 1.0 H A:TYR64 4.1 18.7 1.0 HE1 A:TYR123 4.2 21.7 1.0 HE2 A:TYR64 4.3 27.0 1.0 CD2 A:TYR64 4.3 22.0 1.0 O A:SER61 4.4 19.3 1.0 O A:HOH497 4.4 41.2 1.0 O A:HOH409 4.4 35.5 1.0 OH A:TYR123 4.5 23.6 1.0 CG A:ASN62 4.6 18.7 1.0 CE2 A:TYR64 4.6 22.5 1.0 N A:TYR64 4.7 15.6 1.0 CE1 A:TYR123 4.7 18.1 1.0 N A:ASN62 4.7 14.5 1.0 HA A:GLN63 4.7 20.9 1.0 CB A:ASN62 4.8 14.8 1.0 C A:SER61 4.9 15.4 1.0 C A:GLN63 4.9 15.5 1.0 OE1 A:GLN63 4.9 25.9 1.0 CZ A:TYR123 4.9 21.4 1.0 HH A:TYR123 5.0 28.4 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Ucad Lectin-Binding Domain


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 the Ucad Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:25.3 occ:1.00 H A:GLN183 2.4 18.2 1.0 HA A:LYS182 2.9 18.1 1.0 O A:HOH616 3.1 45.8 1.0 HE3 A:LYS182 3.2 26.4 1.0 N A:GLN183 3.2 15.2 1.0 O A:HOH538 3.2 33.9 1.0 HB3 A:GLN183 3.6 19.8 1.0 HZ2 A:LYS182 3.6 43.7 1.0 HD2 A:LYS182 3.7 23.7 1.0 CA A:LYS182 3.8 15.1 1.0 HD21 A:LEU83 3.8 24.0 1.0 HB3 A:LYS182 3.9 19.3 1.0 CE A:LYS182 3.9 22.1 1.0 C A:LYS182 4.0 13.3 1.0 NZ A:LYS182 4.2 36.4 1.0 CA A:GLN183 4.2 13.2 1.0 O A:HOH420 4.2 25.5 1.0 CB A:GLN183 4.2 16.5 1.0 O A:GLN183 4.3 15.7 1.0 HB2 A:GLN183 4.3 19.8 1.0 CD A:LYS182 4.3 19.8 1.0 CB A:LYS182 4.3 16.1 1.0 HZ1 A:LYS182 4.3 43.7 1.0 O A:THR181 4.4 18.8 1.0 HD23 A:LEU83 4.5 24.0 1.0 CD2 A:LEU83 4.5 20.0 1.0 C A:GLN183 4.7 13.0 1.0 HE2 A:LYS182 4.8 26.4 1.0 O A:HOH415 4.8 36.5 1.0 HD22 A:LEU83 4.8 24.0 1.0 O A:HOH460 4.8 38.2 1.0 O A:HOH599 4.9 35.8 1.0 N A:LYS182 4.9 17.8 1.0 HZ3 A:LYS182 5.0 43.7 1.0 CG A:LYS182 5.0 21.6 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Ucad Lectin-Binding Domain


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 the Ucad Lectin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:25.0 occ:1.00 H A:ALA194 2.6 21.9 1.0 HA A:ARG193 2.8 18.9 1.0 HG3 A:ARG193 3.0 20.1 1.0 O A:HOH523 3.1 22.7 1.0 N A:ALA194 3.4 18.2 1.0 HB3 A:ALA194 3.7 33.8 1.0 CA A:ARG193 3.7 15.8 1.0 CG A:ARG193 3.9 16.7 1.0 HB2 A:ALA194 4.0 33.8 1.0 C A:ARG193 4.1 17.9 1.0 O A:ASN192 4.1 17.6 1.0 CB A:ALA194 4.2 28.1 1.0 H A:SER195 4.3 20.0 1.0 HG2 A:ARG193 4.3 20.1 1.0 CB A:ARG193 4.3 12.9 1.0 CA A:ALA194 4.4 17.4 1.0 HB2 A:ARG193 4.6 15.5 1.0 O A:HOH516 4.7 32.6 1.0 N A:ARG193 4.8 15.6 1.0 C A:ASN192 4.9 14.6 1.0 HD2 A:ARG193 4.9 19.4 1.0 CD A:ARG193 4.9 16.2 1.0 HD3 A:ARG193 4.9 19.4 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.