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BMRB: 16648

2KRT

Solution NMR Structure of a Conserved Hypothetical Membrane Lipoprotein Obtained from Ureaplasma parvum: Northeast Structural Genomics Consortium Target UuR17A (139-239)

Authors

Mani, R., Swapna, G., Janjua, H., Ciccosanti, C., Huang, Y., Patel, D., Xiao, R., Acton, T., Everett, J., Montelione, G.

Assembly

UuR17A

Entity

1. UuR17A (polymer, Thiol state: not present), 121 monomers, 14335.01 Da Detail

MLSQANEDFK KIVNNIRLKD TFDFKLAAFP NQNYDQLLPS QIYKNYYQGI EIQQHKYQNE LDIKIINFLY PDGDFGSANK NGTLKLSLML TDKKNNQVYY KLLEVSGFKS NPYLEHHHHH H

Formula weight

14335.01 Da

Source organism

Ureaplasma parvum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.9 %, Completeness: 84.3 %, Completeness (bb): 91.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.3 % (1286 of 1526)	82.3 % (660 of 802)	86.5 % (506 of 585)	86.3 % (120 of 139)
Backbone	91.2 % (655 of 718)	91.4 % (222 of 243)	90.8 % (325 of 358)	92.3 % (108 of 117)
Sidechain	80.1 % (740 of 924)	78.4 % (438 of 559)	84.5 % (290 of 343)	54.5 % (12 of 22)
Aromatic	61.2 % (104 of 170)	60.0 % (51 of 85)	62.4 % (53 of 85)
Methyl	93.9 % (107 of 114)	93.0 % (53 of 57)	94.7 % (54 of 57)

1. UuR17A, Lipoprotein

MLSQANEDFK KIVNNIRLKD TFDFKLAAFP NQNYDQLLPS QIYKNYYQGI EIQQHKYQNE LDIKIINFLY PDGDFGSANK NGTLKLSLML TDKKNNQVYY KLLEVSGFKS NPYLEHHHHH H

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.91mM, 5%D2O, 0.02% NaN3, 100mM DDT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5

#	Name	Isotope labeling	Concentration
1	UuR17A, Lipoprotein	[U-100% 13C; U-100% 15N]	0.91 (±0.2) mM
2	NaN3	natural abundance	0.02 %
3	DDT	natural abundance	100 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	10 mM
6	MES	natural abundance	20 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.91mM, 5%D2O, 0.02% NaN3, 100mM DDT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5

#	Name	Isotope labeling	Concentration
7	UuR17A, Lipoprotein	[U-100% 13C; U-100% 15N]	0.91 (±0.2) mM
8	NaN3	natural abundance	0.02 %
9	DDT	natural abundance	100 mM
10	CaCl2	natural abundance	5 mM
11	NaCl	natural abundance	10 mM
12	MES	natural abundance	20 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.7mM, 5%D2O, 0.02% NaN3, 100mM DDT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5

#	Name	Isotope labeling	Concentration
13	UuR17A, Lipoprotein	[U-10% 13C; U-99% 15N]	0.7 (±0.2) mM
14	NaN3	natural abundance	0.02 %
15	DDT	natural abundance	100 mM
16	CaCl2	natural abundance	5 mM
17	NaCl	natural abundance	10 mM
18	MES	natural abundance	20 mM

LACS Plot; CA

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

Referencing offset: -0.06 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.06 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.36 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-07-25

Citation

Solution NMR and X-ray crystal structures of membrane-associated Lipoprotein-17 domain reveal a novel fold
Mani, R., Vorobiev, S., Swapna, G.V.T., Neely, H., Janjua, H., Ciccosanti, C., Xiao, R., Acton, T.B., Everett, J.K., Hunt, J., Montelione, G.T.
J. Struct. Funct. Genomics (2011), 12, 27-32, PubMed 21153711 , DOI 10.1007/s10969-010-9099-2 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q9PRA0 released on 2011-10-19
Title MALP_UREPA Entity Membrane-associated lipoprotein

Related entities 1. UuR17A, : 1 : 1 : 4 entities Detail

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC