2GUF: Vitamin B12 transporter btuB

In meso crystal structure of the cobalamin transporter, BtuB. Determined by X-ray diffraction at 1.95 Å resolution. Released 5 Dec 2006.

Method: X-ray diffraction
Resolution: 1.95 Å
Organism: Escherichia coli
Chains: 1
Atoms: 5,054
Mol. weight: 70.83 kDa
Ligands: MPG
Released: 5 Dec 2006

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

Secondary structure: helices and β-sheets

2GUF contains 14 α-helices and 35 β-strands across 1 chain. 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: 14 helices, 35 β-strands

Element	Residues	Length	Sheet
β-strand	8-9	2	1
β-strand	17-18	2	1
α-helix	19-21	3
β-strand	26-30	5	2
α-helix	31-37	7
α-helix	43-46	4
β-strand	52-55	4	3
β-strand	65-68	4	3
β-strand	71-72	2	3
α-helix	73-75	3
β-strand	76-80	5	2
β-strand	83-84	2	2
α-helix	92-98	7
α-helix	101-103	3
β-strand	106-111	6	2
α-helix	115-118	4
β-strand	125-130	6	2
β-strand	137-145	9	4
β-strand	149-159	11	4
β-strand	164-175	12	4
β-strand	197-209	13	4
β-strand	214-228	15	4
β-strand	242-257	16	4
β-strand	261-277	17	4
β-strand	289-305	17	4
β-strand	309-323	15	4
α-helix	329-331	3
β-strand	333-348	16	4
β-strand	351-362	12	4
β-strand	366-380	15	4
β-strand	383-394	12	4
α-helix	398-402	5
α-helix	410-412	3
β-strand	413-426	14	4
β-strand	429-447	19	4
β-strand	452-472	21	4
β-strand	475-488	14	4
α-helix	493	1
β-strand	494	1	4
α-helix	495	1
β-strand	501-511	11	4
β-strand	514-523	10	4
β-strand	526-530	5	5
α-helix	536	1
β-strand	537-541	5	5
α-helix	542-543	2
β-strand	544-554	11	4
β-strand	559-566	8	4
β-strand	585-593	9	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Vitamin B12 transporter btuB	A	protein	594	Escherichia coli	P06129 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2GUF_1 Vitamin B12 transporter btuB (chains A)
QDTSPDTLVVTANRFEQPRSTVLAPTTVVTRQDIDRWQSTSVNDVLRRLPGVDITQNGGS
GQLSSIFIRGTNASHVLVLIDGVRLNLAGVSGSADLSQFPIALVQRVEYIRGPRSAVYGS
DAIGGVVNIITTRDEPGTEISAGWGSNSYQNYDVSTQQQLGDKTRVTLLGDYAHTHGYDV
VAYGNTGTQAQTDNDGFLSKTLYGALEHNFTDAWSGFVRGYGYDNRTNYDAYYSPGSPLL
DTRKLYSQSWDAGLRYNGELIKSQLITSYSHSKDYNYDPHYGRYDSSATLDEMKQYTVQW
ANNVIVGHGSIGAGVDWQKQTTTPGTGYVEDGYDQRNTGIYLTGLQQVGDFTFEGAARSD
DNSQFGRHGTWQTSAGWEFIEGYRFIASYGTSYKAPNLGQLYGFYGNPNLDPEKSKQWEG
AFEGLTAGVNWRISGYRNDVSDLIDYDDHTLKYYNEGKARIKGVEATANFDTGPLTHTVS
YDYVDARNAITDTPLLRRAKQQVKYQLDWQLYDFDWGITYQYLGTRYDKDYSSYPYQTVK
MGGVSLWDLAVAYPVTSHLTVRGKIANLFDKDYETVYGYQTAGREYTLSGSYTF

Ligands and cofactors

ID	Name	Formula	Copies
MPG	[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate	C21 H40 O4	11

Water and common crystallization additives (MPD, FMT) are not listed.

Primary citation

In Meso Structure of the Cobalamin Transporter, BtuB, at 1.95 A Resolution. Cherezov, V., Yamashita, E., Liu, W. et al. J Mol Biol (2006) 364:716-734. DOI 10.1016/j.jmb.2006.09.022 · PubMed

Other PDB entries of the same protein (UniProt P06129 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1NQE 2.0 Å, Outer membrane cobalamin transporter (BTUB) from E. Coli
2GSK 2.1 Å, Structure of the BtuB:TonB Complex
3RGN 2.3 Å, Crystal structure of spin-labeled BtuB W371R1
3M8B 2.44 Å, Crystal structure of spin-labeled BtuB V10R1 in the apo state
3M8D 2.44 Å, Crystal structure of spin-labeled BtuB V10R1 with bound calcium and cyanocobalamin
3RGM 2.6 Å, Crystal structure of spin-labeled BtuB T156R1
1NQF 2.7 Å, Outer membrane cobalamin transporter (BTUB) from E. Coli, methionine substiution…
1UJW 2.75 Å, Structure of the complex between BtuB and Colicin E3 Receptor binding domain
1NQH 3.1 Å, Outer membrane cobalamin transporter (BTUB) from E. Coli, with bound calcium and…
1NQG 3.31 Å, Outer membrane cobalamin transporter (BTUB) from E. Coli, with bound calcium
2YSU 3.5 Å, Structure of the complex between BtuB and Colicin E2 receptor binding domain
7NSU 4.7 Å, ColicinE9 intact translocation complex

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