BMRBj - BMREntryMaster

Found 1 Document (0.59 seconds)

BMRB: 34423

6SGO

NMR structure of MLP124017

Authors

Barthe, P., de Guillen, K., Padilla, A., Hecker, A.

Assembly

Secreted protein

Entity

1. Secreted protein (polymer), 157 monomers, 18170.33 Da Detail

MELPESFEFI LTEDMVTDLD VKGLGYDFID LVTKSPDSVN SEHELAHFLG PHDPEIYVNG KIQTTTAFLQ FFRQGLFKKL KDAEFAINVS GKVKEGEGYK LVWKSAAQRS HDQKIRWDEA EAYIWRRKDG SCWLHSVKFI MSKAAPYVAI DHHHHHH

Formula weight

18170.33 Da

Source organism

Melampsora larici-populina

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.0 %, Completeness: 67.8 %, Completeness (bb): 80.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	67.8 % (1282 of 1892)	77.2 % (757 of 980)	52.3 % (391 of 748)	81.7 % (134 of 164)
Backbone	80.0 % (746 of 932)	81.4 % (259 of 318)	79.0 % (365 of 462)	80.3 % (122 of 152)
Sidechain	58.6 % (649 of 1108)	75.2 % (498 of 662)	32.0 % (139 of 434)	100.0 % (12 of 12)
Aromatic	37.9 % (88 of 232)	71.6 % (83 of 116)	0.9 % (1 of 112)	100.0 % (4 of 4)
Methyl	56.3 % (89 of 158)	83.5 % (66 of 79)	29.1 % (23 of 79)

1. entity 1

MELPESFEFI LTEDMVTDLD VKGLGYDFID LVTKSPDSVN SEHELAHFLG PHDPEIYVNG KIQTTTAFLQ FFRQGLFKKL KDAEFAINVS GKVKEGEGYK LVWKSAAQRS HDQKIRWDEA EAYIWRRKDG SCWLHSVKFI MSKAAPYVAI DHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-15N] MLP124017, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	MLP124017	[U-15N]		1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM [U-13C; U-15N] MLP124017, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
2	MLP124017	[U-13C; U-15N]		0.6 mM

LACS Plot; CA

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

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.07 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6SGO, Strand ID: A Detail

Release date

2019-12-08

Citation

Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds
de Guillen, K., Lorrain, C., Tsan, P., Barthe, P., Petre, B., Saveleva, N., Rouhier, N., Duplessis, S., Padilla, A., Hecker, A.
Sci. Rep. (2019), 9, 18084-18084, PubMed 31792250 , DOI 10.1038/s41598-019-53816-9 , Abstract

Related entities 1. Secreted protein, : 1 entities Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34423_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: bmr34423_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1323		81.5 (chain: 1, length: 157)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 157, Sequence coverage: 81.5%
- Total number of assignments
  - ¹H chemical shifts: 852
  - ¹³C chemical shifts: 344
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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)
33	THR	HG1	4.99

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	980	723	73.8
¹³C chemical shifts	748	344	46.0
¹⁵N chemical shifts	169	127	75.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	318	244	76.7
¹³C chemical shifts	314	239	76.1
¹⁵N chemical shifts	152	115	75.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	662	479	72.4
¹³C chemical shifts	434	105	24.2
¹⁵N chemical shifts	17	12	70.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	64	78.0
¹³C chemical shifts	82	10	12.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	116	82	70.7
¹³C chemical shifts	112	0	0.0
¹⁵N chemical shifts	4	4	100.0

Keywords Structure from MOLMOL, UNKNOWN FUNCTION

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Found 1 Document (0.59 seconds)

BMRB: 34423

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Secreted protein, : 1 entities Detail

Experiments performed 7 experiments Detail

Instrument

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Chemical shift validation 3 contents Detail