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BMRB: 25334

2N7H

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

Authors

Habenstein, B., Loquet, A., Giller, K., Vasa, S., Becker, S., Habeck, M., Lange, A.

Assembly

Type 1 Pilus

Entity

1. Type 1 Pilus (polymer, Thiol state: all disulfide bound), 160 monomers, 15958.36 Da Detail

MAATTVNGGT VHFKGEVVNA ACAVDAGSVD QTVQLGQVRT ASLAQEGATS SAVGFNIQLN DCDTNVASKA AVAFLGTAID AGHTNVLALQ SSAAGSATNV GVQILDRTGA ALTLDGATFS SETTLNNGTN TIPFQARYFA TGAATPGAAN ADATFKVQYQ

Formula weight

15958.36 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS22:SG	1:CYS62:SG

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 92.2 %, Completeness (bb): 98.9 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	92.2 % (752 of 816)	93.1 % (593 of 637)	88.8 % (159 of 179)
Backbone	98.9 % (615 of 622)	98.7 % (458 of 464)	99.4 % (157 of 158)
Sidechain	82.5 % (279 of 338)	87.4 % (277 of 317)	9.5 % (2 of 21)
Aromatic	25.5 % (12 of 47)	25.5 % (12 of 47)
Methyl	99.1 % (108 of 109)	99.1 % (108 of 109)

1. FimA

MAATTVNGGT VHFKGEVVNA ACAVDAGSVD QTVQLGQVRT ASLAQEGATS SAVGFNIQLN DCDTNVASKA AVAFLGTAID AGHTNVLALQ SSAAGSATNV GVQILDRTGA ALTLDGATFS SETTLNNGTN TIPFQARYFA TGAATPGAAN ADATFKVQYQ

Show sample condition

Sample #1

Solvent system 10 mM sodium phosphate pH 7.0, Pressure 1 atm, Temperature 280 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	FimA	[U-100% 13C; U-100% 15N]		0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance		10 mM

Sample #2

Solvent system 10 mM sodium phosphate pH 7.0, Pressure 1 atm, Temperature 280 K, pH 7

#	Name	Isotope labeling	Type	Concentration
3	FimA	2-glycerol 13C; U-100% 15N		0.0 ~ 0.0 uM
4	sodium phosphate	natural abundance		10 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: 0.72 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MX3, Strand ID: A, B, C, D, E, F Detail

Release date

2015-08-12

Citation

Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli
Habenstein, B., Loquet, A., Vasa, S., Giller, K., Becker, S., Habeck, M., Lange, A.
Angew. Chem Int Ed Engl. (2015), 54, 11691-11695, PubMed 26267365 , DOI 10.1002/anie.201505065 , Abstract

Related entities 1. Type 1 Pilus, : 1 : 15 : 80 entities Detail

Interaction partners 1. Type 1 Pilus, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 NCACB 2D