BMRBj - BMREntryMaster

Found 1 Document (1.644 seconds)

BMRB: 5846

1PUZ

1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein NMA1147: the Northeast Structural Genomics Consortium Target MR19

Authors

Liu, G., Xu, D., Sukumaran, D., Chiang, Y., Acton, T., Montelione, G.T., Szyperski, T.

Assembly

MR19 monomer

Entity

1. MR19 monomer (polymer, Thiol state: not present), 82 monomers, 9794.228 Da Detail

MMVFDDIAKR KIRFQTRRGL LELDLIFGRF MEKEFEHLSD KELSEFSEIL EFQDQELLAL INGHSETDKG HLIPMLEKIR RA

Formula weight

9794.228 Da

Source organism

Neisseria meningitidis

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.0 %, Completeness (bb): 98.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.0 % (986 of 1027)	97.0 % (526 of 542)	94.2 % (377 of 400)	97.6 % (83 of 85)
Backbone	98.0 % (480 of 490)	98.2 % (164 of 167)	97.9 % (237 of 242)	97.5 % (79 of 81)
Sidechain	94.8 % (583 of 615)	96.5 % (362 of 375)	91.9 % (217 of 236)	100.0 % (4 of 4)
Aromatic	82.9 % (68 of 82)	100.0 % (41 of 41)	65.9 % (27 of 41)
Methyl	100.0 % (90 of 90)	100.0 % (45 of 45)	100.0 % (45 of 45)

1. Hypothetical protein NMA1147

MMVFDDIAKR KIRFQTRRGL LELDLIFGRF MEKEFEHLSD KELSEFSEIL EFQDQELLAL INGHSETDKG HLIPMLEKIR RA

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

LACS Plot; CA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 5 Detail

LACS Plot; CO

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

Referencing offset: -0.36 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1PUZ, Strand ID: A Detail

Release date

2004-06-29

Citation

NMR structure of the hypothetical protein NMA1147 from Neisseria meningitidis reveals a distinct 5-helix bundle
Liu, G., Sukumaran, D., Xu, D., Chiang, Y., Acton, T., Goldsmith-Fischman, S., Honig, B., Montelione, G.T., Szyperski, T.
Proteins (2004), 55, 756-758, PubMed 15103637 , DOI 10.1002/prot.20009 , Abstract

Related entities 1. MR19 monomer, : 1 : 45 entities Detail

Experiments performed 10 experiments Detail

1 1H-15N NOESY

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

2 1H-13C NOESY

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

3 HNHA

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

4 HSQC

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

5 HNCO

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

6 HNNCACB

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

7 HNNCAHA

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

8 HACA(co)NHN

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

9 HABCAB(co)NHN

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

10 HCCHTOCSY

Instrument

#1 Model Varian Varian (750 MHz)

#2 Model Varian Varian (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein NMA1147	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Hypothetical protein NMA1147	[U-5% 13C; U-100% 15N]		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5846_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr5846_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1076		100.0 (chain: 1, length: 82)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 82, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 377
  - ¹H chemical shifts: 617
  - ¹⁵N chemical shifts: 82
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
16	THR	HG1	5.6
37	HIS	HD1	7.19

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	400	377	94.3
¹H chemical shifts	542	525	96.9
¹⁵N chemical shifts	92	82	89.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	164	160	97.6
¹H chemical shifts	167	163	97.6
¹⁵N chemical shifts	81	78	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	236	217	91.9
¹H chemical shifts	375	362	96.5
¹⁵N chemical shifts	11	4	36.4

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.644 seconds)

BMRB: 5846

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MR19 monomer, : 1 : 45 entities Detail

Experiments performed 10 experiments Detail

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Chemical shift validation 3 contents Detail