9Q1V

Crystal Structure of de novo design FimH minibinder F7 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	FimH minibinder F7	polymer	68	6795.7	2		synthetic construct
2	B, D (B, D)	Type 1 fimbrin D-mannose specific adhesin	polymer	165	17709.6	2	UniProt (P08191) Pfam (PF09160)	Escherichia coli	Protein FimH
3	E, F, G, H (A, B, C, D)	water	water		18.0	236	Chemie (HOH)

Sequence modifications

B, D: 1 - 160 (UniProt: P08191)

PDB	External Database	Details
Ala 27	Val 48	engineered mutation
Lys 34	Leu 55	engineered mutation
Ser 70	Asn 91	engineered mutation
Asn 78	Ser 99	engineered mutation
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	49010.7
All*	Total formula weight	49010.7

*Water molecules are not included.