BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	87.4 % (1230 of 1408)	88.0 % (643 of 731)	86.4 % (476 of 551)	88.1 % (111 of 126)
Backbone	86.8 % (637 of 734)	88.6 % (225 of 254)	85.4 % (310 of 363)	87.2 % (102 of 117)
Sidechain	88.6 % (697 of 787)	87.6 % (418 of 477)	89.7 % (270 of 301)	100.0 % (9 of 9)
Aromatic	61.3 % (49 of 80)	70.0 % (28 of 40)	51.3 % (20 of 39)	100.0 % (1 of 1)
Methyl	98.1 % (157 of 160)	96.2 % (77 of 80)	100.0 % (80 of 80)

1. entity 1

MDPKVLIMRG EGGREFLAER LRGQGVQVDY LPLDYPAGEL LARVRAERLN GLVVSSGQGL QNLYQLAAAD WPEIGRLPLF VPSPRVAEMA RELGAQRVID CRGASAPALL AALTSAALEH HHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 8, Details 29 mM [U-13C; U-15N] cU3Sd, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cU3Sd	[U-13C; U-15N]		29 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: 0.03 ppm, Outliers: 2 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: 0.03 ppm, Outliers: 2 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: 0.18 ppm, Outliers: 4 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: 0.34 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 6TH8, Strand ID: A Detail

Release date

2019-11-20

Citation

Reconstructing the Remote Origins of a Fold Singleton from a Flavodoxin-Like Ancestor
Toledo-Patino, S., Chaubey, M., Coles, M., Hoecker, B.
Biochemistry (2019), 58, 4790-4793, PubMed 31724394 , DOI 10.1021/acs.biochem.9b00900 , Abstract

Related entities 1. cU3Sd, : 1 : 8 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34452_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: bmr34452_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1403		94.4 (chain: 1, length: 125)
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: 125, Sequence coverage: 94.4%
- Total number of assignments
  - ¹H chemical shifts: 817
  - ¹³C chemical shifts: 477
  - ¹⁵N chemical shifts: 109
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	731	653	89.3
¹³C chemical shifts	551	477	86.6
¹⁵N chemical shifts	138	109	79.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	254	230	90.6
¹³C chemical shifts	250	208	83.2
¹⁵N chemical shifts	117	100	85.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	477	423	88.7
¹³C chemical shifts	301	269	89.4
¹⁵N chemical shifts	21	9	42.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	83	82	98.8
¹³C chemical shifts	83	83	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	28	70.0
¹³C chemical shifts	39	20	51.3
¹⁵N chemical shifts	1	1	100.0

Keywords FLAVOPROTEIN, HemD-like fold, flavodoxin-like fold, protein design

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Found 1 Document (0.743 seconds)

BMRB: 34452

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. cU3Sd, : 1 : 8 entities Detail

Experiments performed 4 experiments Detail

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Chemical shift validation 3 contents Detail