Chlorine in PDB 4x5p: Crystal Structure of Fimh in Complex with A Benzoyl-Amidophenyl Alpha- D-Mannopyranoside

The structure of Crystal Structure of Fimh in Complex with A Benzoyl-Amidophenyl Alpha- D-Mannopyranoside, PDB code: 4x5p was solved by R.C.Preston, R.P.Jakob, B.Fiege, P.Zihlmann, S.Rabbani, O.Schwardt, X.Jiang, B.Ernst, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.13 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.840, 55.890, 61.000, 90.00, 90.00, 90.00
R / Rfree (%)	12.3 / 13.9

The binding sites of Chlorine atom in the Crystal Structure of Fimh in Complex with A Benzoyl-Amidophenyl Alpha- D-Mannopyranoside (pdb code 4x5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Fimh in Complex with A Benzoyl-Amidophenyl Alpha- D-Mannopyranoside, PDB code: 4x5p:

Chlorine binding site 1 out of 1 in the Crystal Structure of Fimh in Complex with A Benzoyl-Amidophenyl Alpha- D-Mannopyranoside


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 Fimh in Complex with A Benzoyl-Amidophenyl Alpha- D-Mannopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:14.0 occ:1.00 CL A:3XJ301 0.0 14.0 1.0 C5 A:3XJ301 1.7 11.9 1.0 C A:3XJ301 2.7 9.7 1.0 C4 A:3XJ301 2.7 13.6 1.0 H6 A:3XJ301 2.8 16.3 1.0 O A:3XJ301 2.8 8.7 1.0 HE2 A:TYR137 3.2 15.2 1.0 HD22 A:ASN138 3.4 12.4 1.0 HD11 A:ILE52 3.4 14.0 1.0 HD21 A:ASN138 3.4 12.4 1.0 HD2 A:TYR137 3.5 14.0 1.0 HD13 A:ILE52 3.7 14.0 1.0 ND2 A:ASN138 3.7 10.4 1.0 H2 A:3XJ301 3.7 9.9 1.0 CE2 A:TYR137 3.8 12.6 1.0 H12 A:3XJ301 3.8 9.9 1.0 CD1 A:ILE52 3.9 11.7 1.0 CD2 A:TYR137 3.9 11.7 1.0 C1 A:3XJ301 4.0 10.7 1.0 HD12 A:ILE52 4.0 14.0 1.0 C3 A:3XJ301 4.0 14.7 1.0 C14 A:3XJ301 4.2 8.3 1.0 C2 A:3XJ301 4.5 12.7 1.0 H3 A:3XJ301 4.6 10.0 1.0 C17 A:3XJ301 4.7 8.2 1.0 HD2 A:TYR48 4.7 23.1 1.0 C15 A:3XJ301 4.7 8.2 1.0 C18 A:3XJ301 4.7 8.3 1.0 O A:HOH490 4.8 28.3 0.9 H4 A:3XJ301 4.8 12.8 1.0 O4 A:3XJ301 4.9 8.2 1.0 H A:3XJ301 4.9 10.0 1.0 HH A:TYR137 4.9 18.0 1.0 CZ A:TYR137 4.9 13.6 1.0 CG A:ASN138 4.9 10.1 1.0 O1 A:3XJ301 5.0 21.7 1.0

B.Fiege, S.Rabbani, R.C.Preston, R.P.Jakob, P.Zihlmann, O.Schwardt, X.Jiang, T.Maier, B.Ernst. The Tyrosine Gate of the Bacterial Lectin Fimh: A Conformational Analysis By uc(Nmr) Spectroscopy and X-Ray Crystallography. Chembiochem V. 16 1235 2015.
ISSN: ESSN 1439-7633
PubMed: 25940742
DOI: 10.1002/CBIC.201402714