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 51159

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51159

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Title: Backbone chemical shift assignments of Horcolin   PubMed: 35225598

Deposition date: 2021-10-28 Original release date: 2022-03-10

Authors: Narayanan, Vaishali; Bobbili, Kishore Babu; Sivaji, Nukathoti; Jayaprakash, Nisha G; Suguna, Kaza; Surolia, Avadesha; Sekhar, Ashok

Citation: Narayanan, Vaishali; Bobbili, Kishore Babu; Sivaji, Nukathoti; Jayaprakash, Nisha G; Suguna, Kaza; Surolia, Avadesha; Sekhar, Ashok. "Structure and Carbohydrate Recognition by the Nonmitogenic Lectin Horcolin"  Biochemistry 61, 464-478 (2022).

Assembly members:
entity_1, polymer, 146 residues, Formula weight is not available

Natural source:   Common Name: Barley   Taxonomy ID: 4513   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hordeum vulgare

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-22b(+)

Entity Sequences (FASTA):
entity_1: MSKPVKIGPWGGNGGSERDV QPKPIRMVSMTVSSGAIVDA IAFTYVGTDNVQHSSGIKWG GTGGTEDTINLDATNYVTEI SGTVGKFGTDDIVTSLKIIT SKGVTRTYGSGTGIPFRVPV LDGGKIAGFFGRAGAFLDAI GFYITP

Data sets:
Data typeCount
13C chemical shifts387
15N chemical shifts130
1H chemical shifts285

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Horcolin, subunit 11
2Horcolin, subunit 21

Entities:

Entity 1, Horcolin, subunit 1 146 residues - Formula weight is not available

1   METSERLYSPROVALLYSILEGLYPROTRP
2   GLYGLYASNGLYGLYSERGLUARGASPVAL
3   GLNPROLYSPROILEARGMETVALSERMET
4   THRVALSERSERGLYALAILEVALASPALA
5   ILEALAPHETHRTYRVALGLYTHRASPASN
6   VALGLNHISSERSERGLYILELYSTRPGLY
7   GLYTHRGLYGLYTHRGLUASPTHRILEASN
8   LEUASPALATHRASNTYRVALTHRGLUILE
9   SERGLYTHRVALGLYLYSPHEGLYTHRASP
10   ASPILEVALTHRSERLEULYSILEILETHR
11   SERLYSGLYVALTHRARGTHRTYRGLYSER
12   GLYTHRGLYILEPROPHEARGVALPROVAL
13   LEUASPGLYGLYLYSILEALAGLYPHEPHE
14   GLYARGALAGLYALAPHELEUASPALAILE
15   GLYPHETYRILETHRPRO

Samples:

sample_1: Horcolin, [U-100% 15N], 1 mM; D2O, [U-2H], 10 % v/v; H2O 90 % v/v; TRIS 25 mM; sodium chloride 50 mM; EDTA 1 mM; sodium azide 0.03 % w/v

sample_2: Horcolin, [U-99% 13C; U-99% 15N], 1 mM; D2O, [U-2H], 10 % v/v; H2O 90 % v/v; TRIS 25 mM; sodium chloride 50 mM; EDTA 1 mM; sodium azide 0.03 % w/v

sample_3: Horcolin, [U-13C; U-15N; U-2H], 0.6 mM; D2O, [U-2H], 10 % v/v; H2O 90 % v/v; TRIS 25 mM; sodium chloride 50 mM; EDTA 1 mM; sodium azide 0.03 % w/v

sample_conditions_1: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_3isotropicsample_conditions_1
3D HN(CA)COsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D HN(CO)CACBsample_3isotropicsample_conditions_1
3D HNNsample_3isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HACA(CO)NHsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

SPARKY - chemical shift assignment, data analysis, peak picking

TALOS+ - geometry optimization

NMR spectrometers:

  • Agilent DRX 600 MHz
  • Bruker AVANCE III 700 MHz

Related Database Links:

UNP Q5U9T2
AlphaFold Q5U9T2

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