BMRB Entry 7107

Title:
1H, 13C and 15N Chemical Shift Assignments for human Keratinocyte Fatty-acid binding protein with potent small molecule inhibitor (BMS-480404)
Deposition date:
2006-05-11
Original release date:
2006-09-11
Authors:
McDonnell, Patricia; Constantine, Keith; Metzler, William; Mueller, Luciano; Farmer, Bennett
Citation:

Citation: McDonnell, Patricia; Constantine, K.; Goldfarb, V.; Johnson, S.; Sulsky, R.; Magnin, D.; Robl, J.; Caulfield, T.; Parker, R.; Taylor, D.; Adam, L.; Metzler, W.; Mueller, L.; Farmer, B.. "1H,13C and 15N assigned chemical shifts for human keratinocyte fatty acid-binding protein with a small molecule inhibitor (BMS-480404)"  J. Med. Chem. 49, 5013-5017 (2006).
PubMed: 16884313

Assembly members:

Assembly members:
human keratinocyte fatty-acid binding protein, polymer, 135 residues, Formula weight is not available

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

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts524
15N chemical shifts134
1H chemical shifts870

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1kFABP1

Entities:

Entity 1, kFABP 135 residues - Formula weight is not available

1   METALATHRVALGLNGLNLEUGLUGLYARG
2   TRPARGLEUVALASPSERLYSGLYPHEASP
3   GLUTYRMETLYSGLULEUGLYVALGLYILE
4   ALALEUARGLYSMETGLYALAMETALALYS
5   PROASPCYSILEILETHRCYSASPGLYLYS
6   ASNLEUTHRILELYSTHRGLUSERTHRLEU
7   LYSTHRTHRGLNPHESERCYSTHRLEUGLY
8   GLULYSPHEGLUGLUTHRTHRALAASPGLY
9   ARGLYSTHRGLNTHRVALCYSASNPHETHR
10   ASPGLYALALEUVALGLNHISGLNGLUTRP
11   ASPGLYLYSGLUSERTHRILETHRARGLYS
12   LEULYSASPGLYLYSLEUVALVALGLUCYS
13   VALMETASNASNVALTHRCYSTHRARGILE
14   TYRGLULYSVALGLU

Samples:

sample_1: human keratinocyte fatty-acid binding protein, [U-13C; U-15N], 1.4 mM; BMS4 mM

conditions_1: pH: 7.5; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1not availableconditions_1
HNCAsample_1not availableconditions_1
HNCAHAsample_1not availableconditions_1
HNCBsample_1not availableconditions_1
HNHBsample_1not availableconditions_1
HBHACONHsample_1not availableconditions_1
CBCACONHsample_1not availableconditions_1
HCCH-TOCSYsample_1not availableconditions_1
4D(CN)NOEsample_1not availableconditions_1
4D(CC)NOEsample_1not availableconditions_1
CH-HCQCsample_1not availableconditions_1
3D 13C edited 13C/15N filtered HSQC-NOESYsample_1not availableconditions_1
2D F1sample_1not availableconditions_1
F2-13C/15N filtered NOEsample_1not availableconditions_1
2D 13C/15N double reverse filtered TOCSYsample_1not availableconditions_1

Software:

No software information available

NMR spectrometers:

  • Varian Inova 597.76 MHz

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