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BMRB: 15423

2JTY

Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for FimA

Authors

Erilov, D., Wider, G., Glockshuber, R., Puorger, C., Vetsch, M.

Assembly

a single polypeptide chain

Entity

1. a single polypeptide chain (polymer, Thiol state: all disulfide bound), 184 monomers, 18023.50 Da Detail

AATTVNGGTV HFKGEVVNAA CAVDAGSVDQ TVQLGQVRTA SLAQEGATSS AVGFNIQLND CDTNVASKAA VAFLGTAIDA GHTNVLALQS SAAGSATNVG VQILDRTGAA LTLDGATFSS ETTLNNGTNT IPFQARYFAT GAATPGAANA DATFKVQYQG GGGGGAATTV NGGTVHFKGE VVNA

Formula weight

18023.5 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS21:SG	1:CYS61:SG

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.5 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.5 % (1698 of 1836)	89.2 % (813 of 911)	94.4 % (680 of 720)	100.0 % (205 of 205)
Backbone	98.3 % (1081 of 1100)	97.7 % (382 of 391)	98.1 % (517 of 527)	100.0 % (182 of 182)
Sidechain	86.5 % (774 of 895)	82.9 % (431 of 520)	90.9 % (320 of 352)	100.0 % (23 of 23)
Aromatic	38.0 % (41 of 108)	22.2 % (12 of 54)	53.7 % (29 of 54)
Methyl	95.1 % (234 of 246)	94.3 % (116 of 123)	95.9 % (118 of 123)

1. FimA

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FimA	[U-98% 13C; U-98% 15N]	1.7 mM
2	sodium phosphate	natural abundance	10 mM
3	H2O	natural abundance	50 M
4	D2O		5 M

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.38 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JTY, Strand ID: A Detail

Release date

2009-10-19

Citation

Structure, folding and stability of FimA, the main structural subunit of type 1 pili from uropathogenic Escherichia coli strains
Erilov, D., Puorger, C., Vetsch, M., Wider, G., Glockshuber, R.
J. Mol. Biol. (2011), 412, 520-535, PubMed 21816158 , DOI 10.1016/j.jmb.2011.07.044 , Abstract

Related entities 1. a single polypeptide chain, : 1 : 13 : 76 entities Detail

Interaction partners 1. a single polypeptide chain, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC