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 15443

Title: Structural Study of Ac-Phe-[Orn-Pro-dCha-Trp-Arg], a Potent C5a Receptor Antagonist, by NMR   PubMed: 18846567

Authors: Zhang, Li; Mallik, Buddhadeb; Morikis, Dimitrios

Citation: Zhang, Li; Mallik, Buddhadeb; Morikis, Dimitrios. "Structural Study of Ac-Phe-[Orn-Pro-dCha-Trp-Arg], a Potent C5a Receptor Antagonist, by NMR"  Biopolymers 90, 803-815 (2008).

Assembly members:
cC5aR-pa, polymer, 6 residues, 887.156 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
cC5aR-pa: XXPXWR

Data sets:
Data typeCount
1H chemical shifts62

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1cC5aR-pa1

Entities:

Entity 1, cC5aR-pa 6 residues - 887.156 Da.

1   NFAORNPROCHATRPARG

Samples:

sample_1: entity2 – 3 mM

sample_conditions_1: pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, data analysis, processing

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

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

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