BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 26940

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26940

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Title: Backbone 1H, 15N and 13C assignments for LITAF   PubMed: 27927196

Deposition date: 2016-11-09 Original release date: 2016-12-13

Authors: Ho, Anita; Wagstaff, Jane; Manna, Paul; Wartosch, Lena; Qamar, Seema; Garman, Elspeth; Freund, Stefan; Roberts, Rhys

Citation: Ho, Anita; Wagstaff, Jane; Manna, Paul; Wartosch, Lena; Qamar, Seema; Garman, Elspeth; Freund, Stefan; Roberts, Rhys. "The topology, structure and PE interaction of LITAF underpin a Charcot-Marie-Tooth disease type 1C"  BMC Biol. 14, 109-109 (2016).

Assembly members:
LITAF_delta114-139, polymer, 143 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
LITAF_delta114-139: MSVPGPYQAATGPSSAPSAP PSYEETVAVNSYYPTPPAPM PGPTTGLVTGPDGKGMNPPS YYTQPAPIPNNNPITVQTVY VQHPITFLDRPIQMCCPSCN KMIVSQLSYNAGASGSGSGS GALQDVDHYCPNCRALLGTY KRL

Data sets:
Data typeCount
13C chemical shifts380
15N chemical shifts126
1H chemical shifts327

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1LITAF delta114-1391
2ZINC ION2

Entities:

Entity 1, LITAF delta114-139 143 residues - Formula weight is not available

1   METSERVALPROGLYPROTYRGLNALAALA
2   THRGLYPROSERSERALAPROSERALAPRO
3   PROSERTYRGLUGLUTHRVALALAVALASN
4   SERTYRTYRPROTHRPROPROALAPROMET
5   PROGLYPROTHRTHRGLYLEUVALTHRGLY
6   PROASPGLYLYSGLYMETASNPROPROSER
7   TYRTYRTHRGLNPROALAPROILEPROASN
8   ASNASNPROILETHRVALGLNTHRVALTYR
9   VALGLNHISPROILETHRPHELEUASPARG
10   PROILEGLNMETCYSCYSPROSERCYSASN
11   LYSMETILEVALSERGLNLEUSERTYRASN
12   ALAGLYALASERGLYSERGLYSERGLYSER
13   GLYALALEUGLNASPVALASPHISTYRCYS
14   PROASNCYSARGALALEULEUGLYTHRTYR
15   LYSARGLEU

Entity 2, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_15N: LITAF delta114-139, [U-99% 15N], 200 uM; Zinc 200 uM; HEPES 20 mM; D2O, [U-2H], 5%; sodium chloride 100 mM; TCEP 0.5 mM

sample_13C15N: LITAF delta114-139, [U-98% 13C; U-98% 15N], 200 uM; Zinc 200 uM; HEPES 20 mM; D2O, [U-2H], 5%; sodium chloride 100 mM; TCEP 0.5 mM

sample_conditions_1: ionic strength: 120.5 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_15Nisotropicsample_conditions_1
2D 1H-15N B_trosysample_15Nisotropicsample_conditions_1
2D 1H-15N B_trosysample_15Nisotropicsample_conditions_1
3D HNCOsample_13C15Nisotropicsample_conditions_1
3D HCACOsample_13C15Nisotropicsample_conditions_1
3D HNCAsample_13C15Nisotropicsample_conditions_1
3D HNCACBsample_13C15Nisotropicsample_conditions_1
3D HN(CO)CAsample_13C15Nisotropicsample_conditions_1
3D CBCA(CO)NHsample_13C15Nisotropicsample_conditions_1
3D 1H-15N NOESYsample_15Nisotropicsample_conditions_1
CONsample_13C15Nisotropicsample_conditions_1
HCBCANCOsample_13C15Nisotropicsample_conditions_1
HCBCACONsample_13C15Nisotropicsample_conditions_1
HNCANNHsample_13C15Nisotropicsample_conditions_1
HNCOCANNHsample_13C15Nisotropicsample_conditions_1
HBHACONHsample_13C15Nisotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

SPARKY, Goddard - data analysis, peak picking

qMDD, Orekhov - processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceII+ 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts