BMRB Entry 19727

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PDB ID: 2mji
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19727
MolProbity Validation Chart

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Title:
HIFABP_Ketorolac_complex
Deposition date:
2014-01-09
Original release date:
2014-10-27
Authors:
Patil, Rahul; Laguerre, Aisha; Wielens, Jerome; Headey, Stephen; Williams, Martin; Mohanty, Biswaranjan; Porter, Christopher; Scanlon, Martin
Citation:

Citation: Patil, Rahul; Scanlon, Martin. "Characterization of Two Distinct Modes of Drug Binding to Human Intestinal Fatty Acid Binding Protein"  ACS Chem. Biol. ., .-. (2014).
PubMed: 25144524

Assembly members:

Assembly members:
HIFABP, polymer, 131 residues, 15098.187 Da.
2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID, non-polymer, 363.237 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: pET-45b (+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HIFABP: AFDSTWKVDRSENYDKFMEK MGVNIVKRKLAAHDNLKLTI TQEGNKFTVKESSAFRNIEV VFELGVTFNYNLADGTELRG TWSLEGNKLIGKFKRTDNGN ELNTVREIIGDELVQTYVYE GVEAKRIFKKD

Data sets:
Data typeCount
13C chemical shifts434
15N chemical shifts126
1H chemical shifts830

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2KET2

Entities:

Entity 1, entity_1 131 residues - 15098.187 Da.

1   ALAPHEASPSERTHRTRPLYSVALASPARG
2   SERGLUASNTYRASPLYSPHEMETGLULYS
3   METGLYVALASNILEVALLYSARGLYSLEU
4   ALAALAHISASPASNLEULYSLEUTHRILE
5   THRGLNGLUGLYASNLYSPHETHRVALLYS
6   GLUSERSERALAPHEARGASNILEGLUVAL
7   VALPHEGLULEUGLYVALTHRPHEASNTYR
8   ASNLEUALAASPGLYTHRGLULEUARGGLY
9   THRTRPSERLEUGLUGLYASNLYSLEUILE
10   GLYLYSPHELYSARGTHRASPASNGLYASN
11   GLULEUASNTHRVALARGGLUILEILEGLY
12   ASPGLULEUVALGLNTHRTYRVALTYRGLU
13   GLYVALGLUALALYSARGILEPHELYSLYS
14   ASP

Entity 2, KET - C12 H16 N2 O9 P - 363.237 Da.

1   KET

Related Database Links:

BMRB 19921
PDB 1KZW 1KZX 2MJI 2MO5 3AKM 3IFB
GB AAA52417 AAH69466 AAH69617 AAH69625 AAH69637
REF NP_000125 XP_001149448 XP_002815138 XP_003830103 XP_004040374
SP P12104
AlphaFold P12104

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