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 19271

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19271

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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for CRABPI   PubMed: 23810905

Deposition date: 2013-05-28 Original release date: 2014-02-13

Authors: Budyak, Ivan; Zhuravleva, Anastasia; Gierasch, Lila

Citation: Budyak, Ivan; Zhuravleva, Anastasia; Gierasch, Lila. "The Role of Aromatic-Aromatic Interactions in Strand-Strand Stabilization of -Sheets."  J. Mol. Biol. 425, 3522-3535 (2013).

Assembly members:
CRABP1, polymer, 158 residues, 18090 Da.

Natural source:   Common Name: House Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-16b

Entity Sequences (FASTA):
CRABP1: MGHHHHHHHHHHSSGHIEGR HMPNFAGTWKMRSSENFDEL LKALGVNAMLRKVAVAAASK PHVEIRQDGDQFYIKTSTTV RTTEINFKVGEGFEEETVDG RKCRSLPTWENENKIHCTQT LLEGDGPKTYWTRELANDEL ILTFGADDVVCTQIYVRE

Data sets:
Data typeCount
13C chemical shifts401
15N chemical shifts130
1H chemical shifts130

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CRABP11

Entities:

Entity 1, CRABP1 158 residues - 18090 Da.

Residues 1-22 represent a non-native affinity tag (His-tag)

1   METGLYHISHISHISHISHISHISHISHIS
2   HISHISSERSERGLYHISILEGLUGLYARG
3   HISMETPROASNPHEALAGLYTHRTRPLYS
4   METARGSERSERGLUASNPHEASPGLULEU
5   LEULYSALALEUGLYVALASNALAMETLEU
6   ARGLYSVALALAVALALAALAALASERLYS
7   PROHISVALGLUILEARGGLNASPGLYASP
8   GLNPHETYRILELYSTHRSERTHRTHRVAL
9   ARGTHRTHRGLUILEASNPHELYSVALGLY
10   GLUGLYPHEGLUGLUGLUTHRVALASPGLY
11   ARGLYSCYSARGSERLEUPROTHRTRPGLU
12   ASNGLUASNLYSILEHISCYSTHRGLNTHR
13   LEULEUGLUGLYASPGLYPROLYSTHRTYR
14   TRPTHRARGGLULEUALAASNASPGLULEU
15   ILELEUTHRPHEGLYALAASPASPVALVAL
16   CYSTHRGLNILETYRVALARGGLU

Samples:

sample_1: CRABP1, [U-99% 13C; U-99% 15N], 500 ± 10 uM; TRIS, [U-2H], 10 ± 1 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 10 mM; pH: 8.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking, processing

CARA, Keller and Wuthrich - chemical shift assignment, refinement

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

  • Agilent 7700CS 700 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAC32295 BAE25869 BAJ84031
EMBL CAA30317 CAA33509 CAA33790 CAA36011 CAG33298
GB AAA30469 AAA30470 AAA40027 AAB20773 AAH22069
PRF 1207174A
REF NP_001099186 NP_001121964 NP_001268580 NP_004369 NP_038524
SP P29762 P62964 P62965 P62966
TPG DAA17503
AlphaFold P29762 P62964 P62966 P62965

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