3MCY

Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, B, C	FimH	polymer	181	19496.6	4	UniProt (Q9S497) Pfam (PF09160) In PDB	Escherichia coli
2	A, D, B, C	methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate	non-polymer		390.4	4	Chemie (ZH1)
3	A, B, C	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	A, D, B, C	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	A, B, C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6		water	water		18.0	181	Chemie (HOH)

Sequence modifications

A, D, B, C: 1 - 175 (UniProt: Q9S497)

PDB	External Database	Details
His 176	-	expression tag
His 177	-	expression tag
His 178	-	expression tag
His 179	-	expression tag
His 180	-	expression tag
His 181	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	77986.5
Non-Polymers*	Number of molecules	14
	Total formula weight	2104.5
All*	Total formula weight	80091.0

*Water molecules are not included.