Brand  (β version)

PDB ID: 4CST

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
CWK 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4CST   PDBj   RCSB PDB   PDBe
Header : SUGAR BINDING PROTEIN
Title : Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile
Release Data : 2015-02-25
Compound :
mol_id molecule chains
1 PROTEIN FIMH A
fragment: LECTIN DOMAIN, RESIDUES 22-180
Source :
mol_id organism_scientific expression_system
1 ESCHERICHIA COLI K-12  (taxid:83333) ESCHERICHIA COLI  (taxid:562)
expression_system_strain: HM125
expression_system_vector_type: PLASMID
expression_system_vector: PDSBA3
Authors : Kleeb, S., Pang, L., Mayer, K., Sigl, A., Eris, D., Preston, R.C., Zihlmann, P., Abgottspon, D., Hutter, A., Scharenberg, M., Jian, X., Navarra, G., Rabbani, S., Smiesko, M., Luedin, N., Jakob, R.P., Schwardt, O., Maier, T., Sharpe, T., Ernst, B.
Keywords : SUGAR BINDING PROTEIN, FIMH ANTAGONISTS, TYPE I PILI, UTI, UPEC, ADHESIN
Exp. method : X-RAY DIFFRACTION ( 1.100 Å )
Citation :

Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.

Ernst, B.,Kleeb, S.,Pang, L.  et al.
(2015)  J.Med.Chem.  58 : 2221

PubMed: 25666045
DOI: 10.1021/JM501524Q

Reaction

Chain : A
UniProt : P08191 (FIMH_ECOLI)
Reaction : -