BMRB Entry 26947

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26947

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Title:
NMR resonance assignments of AIPL1 FKBP in complex with a farnesyl ligand
Deposition date:
2016-11-18
Original release date:
2017-04-26
Authors:
Yu, Liping; Yadav, Ravi; Artemyev, Nikolai
Citation:

Citation: Yu, Liping; Yadav, Ravi; Artemyev, Nikolai. "NMR resonance assignments of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) in complex with a farnesyl ligand"  Biomol. NMR Assign. 11, 111-115 (2017).
PubMed: 28236226

Assembly members:

Assembly members:
AIPL1_FKBP, polymer, 152 residues, Formula weight is not available
entity_5U0, non-polymer, 339.536 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AIPL1_FKBP: MGHHHHHHGDAALLLNVEGV KKTILHGGTGELPNFITGSR VIFHFRTMKCDEERTVIDDS RQVGQPMHIIIGNMFKLEVW EILLTSMRVHEVAEFWCDTI HTGVYPILSRSLRQMAQGGG GGGGYEDLDELQKEPQPLVF VIELLQVDAPSD

Data sets:
Data typeCount
13C chemical shifts505
15N chemical shifts113
1H chemical shifts737

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AIPL1 FKBP1
2FC2

Entities:

Entity 1, AIPL1 FKBP 152 residues - Formula weight is not available

There are 8 residue tag at the N-terminus. Therefore, the numbering starts at -7. Please note that there is a break in real sequence number between 110 and 133 as indicated in the chemical shift file (column 19), i.e. column 19 shows the correct protein sequence numbering for the wild type protein.

1   METGLYHISHISHISHISHISHISGLYASP
2   ALAALALEULEULEUASNVALGLUGLYVAL
3   LYSLYSTHRILELEUHISGLYGLYTHRGLY
4   GLULEUPROASNPHEILETHRGLYSERARG
5   VALILEPHEHISPHEARGTHRMETLYSCYS
6   ASPGLUGLUARGTHRVALILEASPASPSER
7   ARGGLNVALGLYGLNPROMETHISILEILE
8   ILEGLYASNMETPHELYSLEUGLUVALTRP
9   GLUILELEULEUTHRSERMETARGVALHIS
10   GLUVALALAGLUPHETRPCYSASPTHRILE
11   HISTHRGLYVALTYRPROILELEUSERARG
12   SERLEUARGGLNMETALAGLNGLYGLYGLY
13   GLYGLYGLYGLYTYRGLUASPLEUASPGLU
14   LEUGLNLYSGLUPROGLNPROLEUVALPHE
15   VALILEGLULEULEUGLNVALASPALAPRO
16   SERASP

Entity 2, FC - C19 H33 N O2 S - 339.536 Da.

1   5U0

Samples:

sample_1: AIPL1 FKBP, [U-100% 13C; U-100% 15N], 1.0 mM; S-farnesyl-L-cysteine methyl ester 1.0 mM; Sodium phosphate 25 mM; DTT 8 mM

sample_2: AIPL1 FKBP, [U-100% 13C; U-100% 15N], 1.0 mM; S-farnesyl-L-cysteine methyl ester 1.0 mM; Sodium phosphate 25 mM; DTT 8 mM

sample_conditions_1: ionic strength: 137 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C13-NOESYsample_2isotropicsample_conditions_1

Software:

VNMRJ, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Bruker AVII 500 MHz
  • Bruker AVII 800 MHz

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