2GRX

Crystal structure of TonB in complex with FhuA, E. coli outer membrane receptor for ferrichrome

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Ferrichrome-iron receptor	polymer	725	80051.1	2	UniProt (P06971) Pfam (PF07715) Pfam (PF00593)	Escherichia coli	Ferric hydroxamate uptake, Ferric hydroxamate receptor
2	C, D (C, D)	Protein tonB	polymer	229	24973.6	2	UniProt (P94739) Pfam (PF16031) Pfam (PF03544) UniProt (by SIFTS) (P02929)	Escherichia coli
3	E, F (E, F)	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-[L-glycero-alpha-D-manno-heptopyranose-(1-5)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose-(1-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose	branched		940.8	2	In PDB GlyTouCan (G17606RK)
4	G, P (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	H, I, J, K, Q... (A, B)	3-HYDROXY-TETRADECANOIC ACID	non-polymer		244.4	8	Chemie (FTT)
6	L, U (A, B)	DIPHOSPHATE	non-polymer		173.9	2	Chemie (DPO)
7	M, V (A, B)	LAURIC ACID	non-polymer		200.3	2	Chemie (DAO)
8	N, X (A, B)	2-AMINO-VINYL-PHOSPHATE	non-polymer		139.0	2	Chemie (EAP)
9	O, Y (A, B)	FERRICROCIN-IRON	non-polymer		770.5	2	Chemie (FCI)
10	W (B)	MYRISTIC ACID	non-polymer		228.4	1	Chemie (MYR)

Sequence modifications

A, B: 1 - 725 (UniProt: P06971)

PDB	External Database	Details
Ser 406	439	SEE REMARK 999
Ser 407	440	SEE REMARK 999
His 408	441	SEE REMARK 999
His 409	442	SEE REMARK 999
His 410	443	SEE REMARK 999
His 411	444	SEE REMARK 999
His 412	445	SEE REMARK 999
His 413	446	SEE REMARK 999
Gly 414	447	SEE REMARK 999
Ser 415	448	SEE REMARK 999
Ser 416	449	SEE REMARK 999

C, D: 33 - 239 (UniProt: P94739)

PDB	External Database	Details
Gly 11	-	SEE REMARK 999
Ser 12	-	SEE REMARK 999
Ser 13	-	SEE REMARK 999
His 14	-	SEE REMARK 999
His 15	-	SEE REMARK 999
His 16	-	SEE REMARK 999
His 17	-	SEE REMARK 999
His 18	-	SEE REMARK 999
His 19	-	SEE REMARK 999
Ser 20	-	SEE REMARK 999
Ser 21	-	SEE REMARK 999
Gly 22	-	SEE REMARK 999
Leu 23	-	SEE REMARK 999
Val 24	-	SEE REMARK 999
Pro 25	-	SEE REMARK 999
Arg 26	-	SEE REMARK 999
Gly 27	-	SEE REMARK 999
Ser 28	-	SEE REMARK 999
His 29	-	SEE REMARK 999
Met 30	-	SEE REMARK 999
Ser 31	-	SEE REMARK 999
Val 32	-	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	210049.3
Branched	Number of molecules	2
	Total formula weight	1881.7
Non-Polymers*	Number of molecules	19
	Total formula weight	4941.0
All*	Total formula weight	216872.0

*Water molecules are not included.