BMRBj - BMREntryMaster

Found 1 Document (0.417 seconds)

BMRB: 34235

6FIP

Solution NMR structure of Pseudomonas aeruginosa TonB CTD

Authors

Oeemig, J.S., Samuli Ollila, O.H., Heikkinen, H.A., Iwai, H.

Assembly

Protein TonB

Entity

1. Protein TonB (polymer, Thiol state: not present), 99 monomers, 11482.27 Da Detail

SHMGSLNDSD IKPLRMDPPV YPRMAQARGI EGRVKVLFTI TSDGRIDDIQ VLESVPSRMF DREVRQAMAK WRFEPRVSGG KIVARQATKM FFFKIEKRR

Formula weight

11482.27 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 96.3 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.3 % (1156 of 1201)	96.9 % (618 of 638)	95.0 % (441 of 464)	98.0 % (97 of 99)
Backbone	98.1 % (571 of 582)	98.5 % (195 of 198)	97.9 % (285 of 291)	97.8 % (91 of 93)
Sidechain	95.1 % (677 of 712)	96.1 % (423 of 440)	93.2 % (248 of 266)	100.0 % (6 of 6)
Aromatic	73.8 % (62 of 84)	88.1 % (37 of 42)	58.5 % (24 of 41)	100.0 % (1 of 1)
Methyl	100.0 % (94 of 94)	100.0 % (47 of 47)	100.0 % (47 of 47)

1. entity 1

SHMGSLNDSD IKPLRMDPPV YPRMAQARGI EGRVKVLFTI TSDGRIDDIQ VLESVPSRMF DREVRQAMAK WRFEPRVSGG KIVARQATKM FFFKIEKRR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] PaTonB96, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	PaTonB96	[U-99% 13C; U-99% 15N]		1 mM
2	NaPO4 buffer	natural abundance		20 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	na	indirect	0.2514495
¹H	H2O	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	indirect	1.0

Referencing offset: 0.03 ppm, Outliers: 1 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	na	indirect	0.2514495
¹H	H2O	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	indirect	1.0

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	H2O	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	indirect	1.0

Referencing offset: 0.02 ppm, Outliers: 2 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	na	indirect	0.2514495
¹H	H2O	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	indirect	1.0

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Release date

2018-04-26

Citation

NMR structure of the C-terminal domain of TonB protein from Pseudomonas aeruginosa
Oeemig, J.S., Ollila, O., Iwai, H.
PeerJ (2018), 6, e5412-e5412, PubMed 30186676 , DOI 10.7717/peerj.5412 , Abstract

Related entities 1. Protein TonB, : 1 : 2 : 6 entities Detail

Experiments performed 19 experiments Detail

1 3D HNCACB