BMRB Entry 25334

Name: Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli
Published: 2015-08-13

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PDB ID: 2n7h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25334
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli

Deposition date:

2014-11-13

Original release date:

2015-08-13

Authors:

Habenstein, Birgit; Loquet, Antoine; Giller, Karin; Vasa, Suresh Kumar; Becker, Stefan; Habeck, Michael; Lange, Adam

Citation:

Citation: Habenstein, Birgit; Loquet, Antoine; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Habeck, Michael; Lange, Adam. "Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli" Angew. Chem. Int. Ed. Engl. 54, 11691-11695 (2015).
PubMed: 26267365

Assembly members:

Assembly members:
FimA, polymer, 160 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FimA: MAATTVNGGTVHFKGEVVNA ACAVDAGSVDQTVQLGQVRT ASLAQEGATSSAVGFNIQLN DCDTNVASKAAVAFLGTAID AGHTNVLALQSSAAGSATNV GVQILDRTGAALTLDGATFS SETTLNNGTNTIPFQARYFA TGAATPGAANADATFKVQYQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	639
15N chemical shifts	161

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FimA	1

Entities:

Entity 1, FimA 160 residues - Formula weight is not available

1	MET	ALA	ALA	THR	THR	VAL	ASN	GLY	GLY	THR
2	VAL	HIS	PHE	LYS	GLY	GLU	VAL	VAL	ASN	ALA
3	ALA	CYS	ALA	VAL	ASP	ALA	GLY	SER	VAL	ASP
4	GLN	THR	VAL	GLN	LEU	GLY	GLN	VAL	ARG	THR
5	ALA	SER	LEU	ALA	GLN	GLU	GLY	ALA	THR	SER
6	SER	ALA	VAL	GLY	PHE	ASN	ILE	GLN	LEU	ASN
7	ASP	CYS	ASP	THR	ASN	VAL	ALA	SER	LYS	ALA
8	ALA	VAL	ALA	PHE	LEU	GLY	THR	ALA	ILE	ASP
9	ALA	GLY	HIS	THR	ASN	VAL	LEU	ALA	LEU	GLN
10	SER	SER	ALA	ALA	GLY	SER	ALA	THR	ASN	VAL
11	GLY	VAL	GLN	ILE	LEU	ASP	ARG	THR	GLY	ALA
12	ALA	LEU	THR	LEU	ASP	GLY	ALA	THR	PHE	SER
13	SER	GLU	THR	THR	LEU	ASN	ASN	GLY	THR	ASN
14	THR	ILE	PRO	PHE	GLN	ALA	ARG	TYR	PHE	ALA
15	THR	GLY	ALA	ALA	THR	PRO	GLY	ALA	ALA	ASN
16	ALA	ASP	ALA	THR	PHE	LYS	VAL	GLN	TYR	GLN

Samples:

sample_1: FimA, [U-100% 13C; U-100% 15N], mM; sodium phosphate 10 mM

sample_2: FimA, 2-glycerol 13C; U-100% 15N, uM; sodium phosphate 10 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 280 K

Experiments:

Name	Sample	Sample state	Sample conditions
NCACB 2D	sample_1	solid	sample_conditions_1
N(CO)CACB 3D	sample_1	solid	sample_conditions_1
NCACB 3D	sample_1	solid	sample_conditions_1
NCOCA 3D	sample_1	solid	sample_conditions_1
CANCO 3D	sample_1	solid	sample_conditions_1
NCACO 3D	sample_1	solid	sample_conditions_1
NCACO 2D	sample_1	solid	sample_conditions_1
N(CO)CACB 2D	sample_1	solid	sample_conditions_1
NCOCA 2D	sample_1	solid	sample_conditions_1
NCO 2D	sample_1	solid	sample_conditions_1
NCA 2D	sample_1	solid	sample_conditions_1
CC PDSD	sample_1	solid	sample_conditions_1
CC PDSD	sample_2	solid	sample_conditions_1
CC PDSD	sample_2	solid	sample_conditions_1

Software:

CcpNMR_Analysis, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 850 MHz
Bruker Avance 600 MHz

1	MET	ALA	ALA	THR	THR	VAL	ASN	GLY	GLY	THR
2	VAL	HIS	PHE	LYS	GLY	GLU	VAL	VAL	ASN	ALA
3	ALA	CYS	ALA	VAL	ASP	ALA	GLY	SER	VAL	ASP
4	GLN	THR	VAL	GLN	LEU	GLY	GLN	VAL	ARG	THR
5	ALA	SER	LEU	ALA	GLN	GLU	GLY	ALA	THR	SER
6	SER	ALA	VAL	GLY	PHE	ASN	ILE	GLN	LEU	ASN
7	ASP	CYS	ASP	THR	ASN	VAL	ALA	SER	LYS	ALA
8	ALA	VAL	ALA	PHE	LEU	GLY	THR	ALA	ILE	ASP
9	ALA	GLY	HIS	THR	ASN	VAL	LEU	ALA	LEU	GLN
10	SER	SER	ALA	ALA	GLY	SER	ALA	THR	ASN	VAL
11	GLY	VAL	GLN	ILE	LEU	ASP	ARG	THR	GLY	ALA
12	ALA	LEU	THR	LEU	ASP	GLY	ALA	THR	PHE	SER
13	SER	GLU	THR	THR	LEU	ASN	ASN	GLY	THR	ASN
14	THR	ILE	PRO	PHE	GLN	ALA	ARG	TYR	PHE	ALA
15	THR	GLY	ALA	ALA	THR	PRO	GLY	ALA	ALA	ASN
16	ALA	ASP	ALA	THR	PHE	LYS	VAL	GLN	TYR	GLN

1	MET	ALA	ALA	THR	THR	VAL	ASN	GLY	GLY	THR
2	VAL	HIS	PHE	LYS	GLY	GLU	VAL	VAL	ASN	ALA
3	ALA	CYS	ALA	VAL	ASP	ALA	GLY	SER	VAL	ASP
4	GLN	THR	VAL	GLN	LEU	GLY	GLN	VAL	ARG	THR
5	ALA	SER	LEU	ALA	GLN	GLU	GLY	ALA	THR	SER
6	SER	ALA	VAL	GLY	PHE	ASN	ILE	GLN	LEU	ASN
7	ASP	CYS	ASP	THR	ASN	VAL	ALA	SER	LYS	ALA
8	ALA	VAL	ALA	PHE	LEU	GLY	THR	ALA	ILE	ASP
9	ALA	GLY	HIS	THR	ASN	VAL	LEU	ALA	LEU	GLN
10	SER	SER	ALA	ALA	GLY	SER	ALA	THR	ASN	VAL
11	GLY	VAL	GLN	ILE	LEU	ASP	ARG	THR	GLY	ALA
12	ALA	LEU	THR	LEU	ASP	GLY	ALA	THR	PHE	SER
13	SER	GLU	THR	THR	LEU	ASN	ASN	GLY	THR	ASN
14	THR	ILE	PRO	PHE	GLN	ALA	ARG	TYR	PHE	ALA
15	THR	GLY	ALA	ALA	THR	PRO	GLY	ALA	ALA	ASN
16	ALA	ASP	ALA	THR	PHE	LYS	VAL	GLN	TYR	GLN

1	MET	ALA	ALA	THR	THR	VAL	ASN	GLY	GLY	THR
2	VAL	HIS	PHE	LYS	GLY	GLU	VAL	VAL	ASN	ALA
3	ALA	CYS	ALA	VAL	ASP	ALA	GLY	SER	VAL	ASP
4	GLN	THR	VAL	GLN	LEU	GLY	GLN	VAL	ARG	THR
5	ALA	SER	LEU	ALA	GLN	GLU	GLY	ALA	THR	SER
6	SER	ALA	VAL	GLY	PHE	ASN	ILE	GLN	LEU	ASN
7	ASP	CYS	ASP	THR	ASN	VAL	ALA	SER	LYS	ALA
8	ALA	VAL	ALA	PHE	LEU	GLY	THR	ALA	ILE	ASP
9	ALA	GLY	HIS	THR	ASN	VAL	LEU	ALA	LEU	GLN
10	SER	SER	ALA	ALA	GLY	SER	ALA	THR	ASN	VAL
11	GLY	VAL	GLN	ILE	LEU	ASP	ARG	THR	GLY	ALA
12	ALA	LEU	THR	LEU	ASP	GLY	ALA	THR	PHE	SER
13	SER	GLU	THR	THR	LEU	ASN	ASN	GLY	THR	ASN
14	THR	ILE	PRO	PHE	GLN	ALA	ARG	TYR	PHE	ALA
15	THR	GLY	ALA	ALA	THR	PRO	GLY	ALA	ALA	ASN
16	ALA	ASP	ALA	THR	PHE	LYS	VAL	GLN	TYR	GLN