2GRX: TonB

Crystal structure of TonB in complex with FhuA, E. coli outer membrane receptor for ferrichrome. Determined by X-ray diffraction at 3.3 Å resolution. Released 13 Jun 2006.

Method: X-ray diffraction
Resolution: 3.3 Å
Organism: Escherichia coli
Chains: 4
Atoms: 12,533
Mol. weight: 216.87 kDa
Ligands: DPO, EAP, MYR, FCI
Released: 13 Jun 2006

Explore 2GRX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2GRX contains 32 α-helices and 106 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 13 helices, 48 β-strands

Element	Residues	Length	Sheet
β-strand	11-13	3	1
β-strand	32-33	2	2
β-strand	41-42	2	2
α-helix	43-45	3
β-strand	51-54	4	3
α-helix	55-58	4
β-strand	76-77	2	4
β-strand	91-92	2	4
β-strand	104-106	3	3
β-strand	109-110	2	3
β-strand	114	1	5
β-strand	117	1	5
α-helix	123-125	3
β-strand	126-131	6	3
α-helix	137-140	4
β-strand	149-153	5	3
α-helix	154	1
β-strand	161-169	9	6
β-strand	173-183	11	6
β-strand	191-202	12	6
β-strand	209-221	13	6
β-strand	227-241	15	6
β-strand	247	1	7
β-strand	250	1	8
β-strand	254	1	8
α-helix	255-256	2
β-strand	274-289	16	6
β-strand	294-311	18	6
β-strand	317	1	9
α-helix	321-323	3
α-helix	334-337	4
β-strand	341	1	9
β-strand	346-365	20	6
β-strand	370-392	23	6
β-strand	431-434	4	6
β-strand	436-453	18	6
β-strand	456-466	11	6
β-strand	469-473	5	6
β-strand	478-482	5	6
β-strand	485-495	11	6
β-strand	502-512	11	6
β-strand	517	1	10
β-strand	523	1	10
α-helix	524-526	3
β-strand	527-538	12	6
β-strand	545-562	18	6
β-strand	570-587	18	6
β-strand	593-608	16	6
α-helix	616-617	2
β-strand	623-632	10	6
β-strand	642-650	9	6
β-strand	653-654	2	11
β-strand	662-663	2	11
α-helix	664-665	2
β-strand	666-676	11	6
α-helix	677-680	4
β-strand	686-692	7	6
β-strand	700-703	4	7
β-strand	709-711	3	7
α-helix	712-715	4
β-strand	716-723	8	6

Chain B: 13 helices, 48 β-strands

Element	Residues	Length	Sheet
β-strand	32-33	2	12
β-strand	41-42	2	12
α-helix	43-45	3
β-strand	51-54	4	13
α-helix	55-58	4
β-strand	76-77	2	14
β-strand	91-92	2	14
β-strand	95	1	14
β-strand	104-106	3	13
β-strand	109-110	2	13
β-strand	114	1	15
β-strand	117	1	15
α-helix	123-125	3
β-strand	126-131	6	13
α-helix	137-140	4
β-strand	149-153	5	13
α-helix	154	1
β-strand	161-169	9	16
β-strand	173-183	11	16
β-strand	191-202	12	16
β-strand	209-221	13	16
β-strand	227-241	15	16
β-strand	247	1	17
β-strand	250	1	18
β-strand	254	1	18
α-helix	255-256	2
β-strand	274-289	16	16
β-strand	294-311	18	16
β-strand	317	1	19
α-helix	321-323	3
α-helix	334-337	4
β-strand	341	1	19
β-strand	346-365	20	16
β-strand	370-392	23	16
β-strand	431-434	4	16
β-strand	436-453	18	16
β-strand	456-466	11	16
β-strand	469-473	5	16
β-strand	478-482	5	16
β-strand	485-495	11	16
β-strand	502-512	11	16
β-strand	517	1	20
β-strand	523	1	20
α-helix	524-526	3
β-strand	527-538	12	16
β-strand	545-562	18	16
β-strand	570-587	18	16
β-strand	593-608	16	16
α-helix	616-617	2
β-strand	623-632	10	16
β-strand	642-650	9	16
β-strand	653-654	2	21
β-strand	662-663	2	21
α-helix	664-665	2
β-strand	666-676	11	16
α-helix	677-680	4
β-strand	686-692	7	16
β-strand	700-703	4	17
β-strand	709-711	3	17
α-helix	712-715	4
β-strand	716-723	8	16

Chains C and D: 3 helices, 5 β-strands

Element	Residues	Length	Sheet
α-helix	161-164	4
α-helix	165-170	6
β-strand	174-176	3	1
β-strand	178-181	4	22
β-strand	189-193	5	22
α-helix	203-209	7
β-strand	224-225	2	22
β-strand	228-230	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Ferrichrome-iron receptor	A, B	protein	725	Escherichia coli	P06971 (AlphaFold model)
Protein tonB	C, D	protein	229	Escherichia coli	P02929 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2GRX_1 Ferrichrome-iron receptor (chains A, B)
AVEPKEDTITVTAAPAPQESAWGPAATIAARQSATGTKTDTPIQKVPQSISVVTAEEMAL
HQPKSVKEALSYTPGVSVGTRGASNTYDHLIIRGFAAEGQSQNNYLNGLKLQGNFYNDAV
IDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDF
SDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPE
TGYYGWLPKEGTVEPLPNGKRLPTDFNEGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNL
RFAENKTSQNSVYGYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQ
LQSKFATGDIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNPSSHHHHHHGSSVNTD
FDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWADQESLNRVAGTTD
KRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKDGNIFAPSKGKQYEVGVKYVP
EDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRARGVEIEAKAALSASVNVVGSYT
YTDAEYTTDTTYKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANS
FKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVVAT
ATFRF

Sequence of entity 2 (C, D), FASTA

>2GRX_2 Protein tonB (chains C, D)
GSSHHHHHHSSGLVPRGSHMSVHQVIELPAPAQPISVTMVTPADLEPPQAVQPPPEPVVE
PEPEPEPIPEPPKEAPVVIEKPKPKPKPKPKPVKKVQEQPKRDVKPVESRPASPFENTAP
ARLTSSTATAATSKPVTSVASGPRALSRNQPQYPARAQALRIEGQVKVKFDVTPDGRVDN
VQILSAKPANMFEREVKNAMRRWRYEPGKPGSGIVVNILFKINGTTEIQ

Ligands and cofactors

ID	Name	Formula	Copies
DPO	Diphosphate	O7 P2	2
EAP	2-amino-vinyl-phosphate	C2 H6 N O4 P	2
MYR	Myristic acid	C14 H28 O2	1
FCI	Ferricrocin-iron	C28 H44 Fe N9 O13	2
DAO	Lauric acid	C12 H24 O2	2
FTT	3-hydroxy-tetradecanoic acid	C14 H28 O3	8
PO4	Phosphate ion	O4 P	2

Primary citation

Structure of TonB in complex with FhuA, E. coli outer membrane receptor. Pawelek, P.D., Croteau, N., Ng-Thow-Hing, C. et al. Science (2006) 312:1399-1402. DOI 10.1126/science.1128057 · PubMed

Other PDB entries of the same protein (UniProt P06971 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4CU4 2.3 Å, FhuA from E. coli in complex with the lasso peptide microcin J25 (MccJ25)
1QFG 2.5 Å, E. Coli ferric hydroxamate receptor (FHUA)
2FCP 2.5 Å, Ferric hydroxamate uptake receptor (FHUA) from e.coli
1BY5 2.6 Å, Fhua from E. Coli, with its ligand ferrichrome
8B14 2.6 Å, T5 Receptor Binding Protein pb5 in complex with its E. coli receptor FhuA
1FCP 2.7 Å, Ferric hydroxamate uptake receptor (FHUA) from e.coli in complex with bound…
1QFF 2.7 Å, E. Coli ferric hydroxamate uptake receptor (FHUA) in complex with bound ferrichrome-iron
1BY3 2.74 Å, Fhua from E. Coli
1FI1 2.9 Å, FhuA in complex with lipopolysaccharide and rifamycin CGP4832
1QJQ 2.95 Å, Ferric hydroxamate receptor from escherichia coli (FHUA)
1QKC 3.1 Å, Escherichia coli ferric hydroxamate uptake receptor (FHUA) in complex delta two-albomycin
8A8C 3.1 Å, T5 phage receptor-binding protein pb5 bound to ferrichrome transporter FhuA

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