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Biological Magnetic Resonance Data Bank


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BMRB Entry 19432

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19432
MolProbity Validation Chart

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Title: Cat r 1

Deposition date: 2013-08-16 Original release date: 2014-06-23

Authors: Mueller, Geoffrey; London, Robert; Ghosh, Debajyoti

Citation: Ghosh, Debajyoti; Mueller, Geoffrey; Schramm, G; Edwards, Lori; London, Robert; Petersen, A; Haas, H; Bhattacharya, S. "Primary identification, biochemical characterization, and immunologic properties of the allergenic pollen cyclophilin Cat r 1"  Not known ., .-..

Assembly members:
entity, polymer, 177 residues, 37670.777 Da.

Natural source:   Common Name: eudicots   Taxonomy ID: 4058   Superkingdom: Eukaryota   Kingdom: Streptophyta   Genus/species: Catharanthus roseus

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

Entity Sequences (FASTA):
entity: SFTGSMPNPRVFFDMSVGGQ PAGRIVMELFADTTPRTAEN FRALCTGEKGTGRSGKPLHY KDSSFHRVIPGFMCQGGDFT AGNGTGGESIYGAKFADENF IKKHTGPGILSMANAGPNTN GSQFFICTAKTEWLDGKHVV FGQVVEGMDVVKAIEKVGSS SGRTAKKVVVEDCGQLS

Data sets:
Data typeCount
13C chemical shifts507
15N chemical shifts166
1H chemical shifts941

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Cat r 11

Entities:

Entity 1, Cat r 1 177 residues - 37670.777 Da.

1   SERPHETHRGLYSERMETPROASNPROARG
2   VALPHEPHEASPMETSERVALGLYGLYGLN
3   PROALAGLYARGILEVALMETGLULEUPHE
4   ALAASPTHRTHRPROARGTHRALAGLUASN
5   PHEARGALALEUCYSTHRGLYGLULYSGLY
6   THRGLYARGSERGLYLYSPROLEUHISTYR
7   LYSASPSERSERPHEHISARGVALILEPRO
8   GLYPHEMETCYSGLNGLYGLYASPPHETHR
9   ALAGLYASNGLYTHRGLYGLYGLUSERILE
10   TYRGLYALALYSPHEALAASPGLUASNPHE
11   ILELYSLYSHISTHRGLYPROGLYILELEU
12   SERMETALAASNALAGLYPROASNTHRASN
13   GLYSERGLNPHEPHEILECYSTHRALALYS
14   THRGLUTRPLEUASPGLYLYSHISVALVAL
15   PHEGLYGLNVALVALGLUGLYMETASPVAL
16   VALLYSALAILEGLULYSVALGLYSERSER
17   SERGLYARGTHRALALYSLYSVALVALVAL
18   GLUASPCYSGLYGLNLEUSER

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.075 M; pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMRView, Johnson, One Moon Scientific - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

PSVS, Bhattacharya and Montelione - data analysis

geNMR, Wishart - structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
EMBL CAA59468
GB AFI56997
SP Q39613

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