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BMRB: 26919

5O2Y

1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca Type 2 Secretion System

Authors

Lopez-Castilla, A., Vitorge, B., Khoury, L., Morellet, N., Francetic, O., Izadi-Pruneyre, N.

Assembly

PulG

Entity

1. PulG (polymer, Thiol state: not present), 116 monomers, 12910.04 Da Detail

MGNKEKADRQ KVVSDLVALE GALDMYKLDN SRYPTTEQGL QALVSAPSAE PHARNYPEGG YIRRLPQDPW GSDYQLLSPG QHGQVDIFSL GPDGVPESND DIGNWTIGFH HHHHHK

Formula weight

12910.04 Da

Source organism

Klebsiella oxytoca

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.1 %, Completeness: 83.2 %, Completeness (bb): 89.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.2 % (1098 of 1319)	81.0 % (558 of 689)	85.3 % (434 of 509)	87.6 % (106 of 121)
Backbone	89.7 % (608 of 678)	88.1 % (207 of 235)	90.2 % (303 of 336)	91.6 % (98 of 107)
Sidechain	78.4 % (584 of 745)	77.3 % (351 of 454)	81.2 % (225 of 277)	57.1 % (8 of 14)
Aromatic	62.1 % (72 of 116)	67.2 % (39 of 58)	55.4 % (31 of 56)	100.0 % (2 of 2)
Methyl	84.0 % (84 of 100)	84.0 % (42 of 50)	84.0 % (42 of 50)

1. PulG

MGNKEKADRQ KVVSDLVALE GALDMYKLDN SRYPTTEQGL QALVSAPSAE PHARNYPEGG YIRRLPQDPW GSDYQLLSPG QHGQVDIFSL GPDGVPESND DIGNWTIGFH HHHHHK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 7.000, Details in 50 mM HEPES pH 7 50 mM 1 mM CaCl2

#	Name	Isotope labeling	Concentration
1	PulG	[U-99% 13C; U-99% 15N]	0.6 mM
2	HEPES	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	D2O	[U-100% 2H]	10 %
5	CaCl2	natural abundance	1.2 mM

LACS Plot; CA

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

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.1 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 5O2Y, Strand ID: A Detail

Release date

2016-10-18

Citation

¹H, ¹⁵N and ¹³C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca type 2 secretion system
Lopez-Castilla, A., Vitorge, B., Khoury, L., Morellet, N., Francetic, O., Izadi-Pruneyre, N.
Biomol. NMR Assign. (2017), 11, 155-158, PubMed 28258547 , DOI 10.1007/s12104-017-9738-7 , Abstract

Related entities 1. PulG, : 1 : 1 : 3 : 13 entities Detail

Experiments performed 14 experiments Detail

1 3D HNCACB