1FI1

FhuA in complex with lipopolysaccharide and rifamycin CGP4832

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	FERRICHROME-IRON RECEPTOR	polymer	707	78230.1	1	UniProt (P06971) Pfam (PF07715) Pfam (PF00593)	Escherichia coli K12
2	B (B)	alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-3)-[alpha-D-galactopyranose-(1-6)]alpha-D-glucopyranose-(1-3)-[L-glycero-alpha-D-manno-heptopyranose-(1-7)]L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose-(1-6)-2-amino-2-deoxy-alpha-D-glucopyranose	branched		1989.7	1	In PDB GlyTouCan (G08252UR)
3	C, I, J, K, L... (A)	3-HYDROXY-TETRADECANOIC ACID	non-polymer		244.4	6	Chemie (FTT)
4	D, E (A)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	F (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
6	G (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	H (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
8	N, O (A)	DIPHOSPHATE	non-polymer		173.9	2	Chemie (DPO)
9	P (A)	RIFAMYCIN CGP 4832	non-polymer		936.1	1	Chemie (RIF)
10	Q (A)	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	non-polymer		201.3	1	Chemie (DDQ)
11	R (A)	water	water		18.0	179	Chemie (HOH)

Sequence modifications

A: 19 - 725 (UniProt: P06971)

PDB	External Database	Details
Ser 406	-	expression tag
Ser 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag
Gly 414	-	expression tag
Ser 415	-	expression tag
Ser 416	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	78230.1
Branched	Number of molecules	1
	Total formula weight	1989.7
Non-Polymers*	Number of molecules	15
	Total formula weight	3247.4
All*	Total formula weight	83467.3

*Water molecules are not included.