BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18170

Title: Structure of human CXCR1 in phospholipid bilayers   PubMed: 23086146

Authors: Park, Sang Ho; Das, Bibhuti; Casagrande, Fabio; Nothnagel, Henry; Chu, Mignon; Kiefer, Hans; Maier, Klaus; De Angelis, Anna; Marassi, Francesca; Opella, Stanley

Citation: Park, Sang Ho; Das, Bibhuti; Casagrande, Fabio; Tian, Ye; Nothnagel, Henry; Chu, Mignon; Kiefer, Hans; Maier, Klaus; De Angelis, Anna; Marassi, Francesca; Opella, Stanley. "Structure of the chemokine receptor CXCR1 in phospholipid bilayers."  Nature 491, 779-783 (2012).

Assembly members:
entity_1, polymer, 309 residues, 33726.656 Da.
4-(trifluoromethyl)aniline, non-polymer, 161.124 Da.

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

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

Entity Sequences (FASTA):
entity_1: MPPADEDYSPCMLETETLNK YVVIIAYALVFLLSLLGNSL VMLVILYSRVGRSVTDVYLL NLALADLLFALTLPIWAASK VNGWIFGTFLCKVVSLLKEV NFYSGILLLACISVDRYLAI VHATRTLTQKRHLVKFVCLG CWGLSMNLSLPFFLFRQAYH PNNSSPVCYEVLGNDTAKWR MVLRILPHTFGFIVPLFVML FCYGFTLRTLFKAHMGQKHR AMRVIFAVVLIFLLCWLPYN LVLLADTLMRTQVIQESCER RNNIGRALDATEILGFLHSC LNPIIYAFIGQNFRHGFLKI LAMHGLVSK

Data sets:
Data typeCount
13C chemical shifts816
15N chemical shifts298

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1human CXCR1 in phospholipid bilayers1
24-TRIFLUOROMETHYLANILINE2

Entities:

Entity 1, human CXCR1 in phospholipid bilayers 309 residues - 33726.656 Da.

1   METPROPROALAASPGLUASPTYRSERPRO
2   CYSMETLEUGLUTHRGLUTHRLEUASNLYS
3   TYRVALVALILEILEALATYRALALEUVAL
4   PHELEULEUSERLEULEUGLYASNSERLEU
5   VALMETLEUVALILELEUTYRSERARGVAL
6   GLYARGSERVALTHRASPVALTYRLEULEU
7   ASNLEUALALEUALAASPLEULEUPHEALA
8   LEUTHRLEUPROILETRPALAALASERLYS
9   VALASNGLYTRPILEPHEGLYTHRPHELEU
10   CYSLYSVALVALSERLEULEULYSGLUVAL
11   ASNPHETYRSERGLYILELEULEULEUALA
12   CYSILESERVALASPARGTYRLEUALAILE
13   VALHISALATHRARGTHRLEUTHRGLNLYS
14   ARGHISLEUVALLYSPHEVALCYSLEUGLY
15   CYSTRPGLYLEUSERMETASNLEUSERLEU
16   PROPHEPHELEUPHEARGGLNALATYRHIS
17   PROASNASNSERSERPROVALCYSTYRGLU
18   VALLEUGLYASNASPTHRALALYSTRPARG
19   METVALLEUARGILELEUPROHISTHRPHE
20   GLYPHEILEVALPROLEUPHEVALMETLEU
21   PHECYSTYRGLYPHETHRLEUARGTHRLEU
22   PHELYSALAHISMETGLYGLNLYSHISARG
23   ALAMETARGVALILEPHEALAVALVALLEU
24   ILEPHELEULEUCYSTRPLEUPROTYRASN
25   LEUVALLEULEUALAASPTHRLEUMETARG
26   THRGLNVALILEGLNGLUSERCYSGLUARG
27   ARGASNASNILEGLYARGALALEUASPALA
28   THRGLUILELEUGLYPHELEUHISSERCYS
29   LEUASNPROILEILETYRALAPHEILEGLY
30   GLNASNPHEARGHISGLYPHELEULYSILE
31   LEUALAMETHISGLYLEUVALSERLYS

Entity 2, 4-TRIFLUOROMETHYLANILINE - C7 H6 F3 N - 161.124 Da.

1   ANI

Samples:

sample_1: CXCR1, [U-100% 13C; U-100% 15N], 2 – 4 mg; H2O 100%; HEPES 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
NCACXsample_1solidsample_conditions_1
SLFsample_1solidsample_conditions_1
PDSDsample_1solidsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 750 MHz

Related Database Links:

PDB
DBJ BAG35550 BAG74111
EMBL CAA46688 CAB37671 CAB37850 CAG46791 CAG46826
GB AAA59159 AAA59160 AAA64378 AAB25879 AAB59436
REF NP_000625 NP_001035537 XP_004033238 XP_004033239
SP P25024 P55919 P55920