BMRB Entry 19160

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19160

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Title:
Ligand binding promiscuity of human liver fatty acid binding protein: structural and dynamic insights from an interaction study with glycocholate and oleate
Deposition date:
2013-04-12
Original release date:
2013-10-17
Authors:
D'Onofrio, Mariapina; Favretto, Filippo; Assfalg, Michael; Molinari, Henriette; Gallo, Mariana; Cicero, Daniel
Citation:

Citation: Favretto, Filippo; Assfalg, Michael; Gallo, Mariana; Cicero, Daniel; D'Onofrio, Mariapina; Molinari, Henriette. "Ligand binding promiscuity of human liver fatty acid binding protein: structural and dynamic insights from an interaction study with glycocholate and oleate"  ChemBioChem ., .-..

Assembly members:

Assembly members:
hL-FABP, polymer, 135 residues, Formula weight is not available
GLYCOCHOLIC ACID, non-polymer, 465.623 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: pQE50

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hL-FABP: MRGSMSFSGKYQLQSQENFE AFMKAIGLPEELIQKGKDIK GVSEIVQNGKHFKFTITAGS KVIQNEFTVGEECELETMTG EKVKTVVQLEGDNKLVTAFK NIKSVTELNGDIITNTMTLG DIVFKRISKRILVPR

Data sets:
Data typeCount
13C chemical shifts360
15N chemical shifts128
1H chemical shifts432
heteronuclear NOE values117
T1 relaxation values121
T2 relaxation values113

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1human liver fatty acid binding protein1
2glycocholic acid2

Entities:

Entity 1, human liver fatty acid binding protein 135 residues - Formula weight is not available

First and last four residues are added for cloning and tag purposes

1   METARGGLYSERMETSERPHESERGLYLYS
2   TYRGLNLEUGLNSERGLNGLUASNPHEGLU
3   ALAPHEMETLYSALAILEGLYLEUPROGLU
4   GLULEUILEGLNLYSGLYLYSASPILELYS
5   GLYVALSERGLUILEVALGLNASNGLYLYS
6   HISPHELYSPHETHRILETHRALAGLYSER
7   LYSVALILEGLNASNGLUPHETHRVALGLY
8   GLUGLUCYSGLULEUGLUTHRMETTHRGLY
9   GLULYSVALLYSTHRVALVALGLNLEUGLU
10   GLYASPASNLYSLEUVALTHRALAPHELYS
11   ASNILELYSSERVALTHRGLULEUASNGLY
12   ASPILEILETHRASNTHRMETTHRLEUGLY
13   ASPILEVALPHELYSARGILESERLYSARG
14   ILELEUVALPROARG

Entity 2, glycocholic acid - C26 H43 N O6 - 465.623 Da.

1   GCH

Samples:

sample_1: human liver fatty acid binding protein, [U-100% 13C; U-100% 15N], 0.5 mM; H20 93%; D2O 7%; NaN3 0.01%; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
standard Heteronuclear 15N NOEsample_1isotropicsample_conditions_1
standard Heteronuclear 15N T1sample_1isotropicsample_conditions_1
standard Heteronuclear 15N T2sample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 17302 17303 19188 19189 25333
PDB
DBJ BAI46102
EMBL CAG46887
GB AAA52418 AAA52419 AAH22287 AAH32801 AAX37108
REF NP_001434 XP_001140263 XP_003268834 XP_003805902 XP_004029642
SP P07148
AlphaFold P07148

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