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
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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

Related Database Links:

BMRB 17302 17303 19188 19189 25333
PDB 2F73 2L67 2L68 2LKK 2PY1 3B2H 3B2I 3B2J 3B2K 3B2L 3STK 3STM 3STN 3VG2 3VG3 3VG4 3VG5 3VG6 3VG7
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