BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 15596

Title: NMR Solution structure of Human MIP-3alpha/CCL20   PubMed: 18086840

Authors: Chan, David; Hunter, Howard; Tack, Brian; Vogel, Hans

Citation: Chan, David; Hunter, Howard; Tack, Brian; Vogel, Hans. "Human macrophage inflammatory protein 3alpha: protein and peptide nuclear magnetic resonance solution structures, dimerization, dynamics, and anti-infective properties"  Antimicrob. Agents Chemother. 52, 883-894 (2008).

Assembly members:
Chemokine, polymer, 70 residues, 8045.645 Da.

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

Experimental source:   Production method: Chemical synthesis

Entity Sequences (FASTA):
Chemokine: ASNFDCCLGYTDRILHPKFI VGFTRQLANEGCDINAIIFH TKKKLSVCANPKQTWVKYIV RLLSKKVKNM

Data sets:
Data typeCount
1H chemical shifts535

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Protein1

Entities:

Entity 1, Protein 70 residues - 8045.645 Da.

1   ALASERASNPHEASPCYSCYSLEUGLYTYR
2   THRASPARGILELEUHISPROLYSPHEILE
3   VALGLYPHETHRARGGLNLEUALAASNGLU
4   GLYCYSASPILEASNALAILEILEPHEHIS
5   THRLYSLYSLYSLEUSERVALCYSALAASN
6   PROLYSGLNTHRTRPVALLYSTYRILEVAL
7   ARGLEULEUSERLYSLYSVALLYSASNMET

Samples:

sample_1: Protein 0.9 mM; H2O 90%; D2O 10%

sample_2: Protein 0.9 mM; D2O 100%

sample_conditions_1: ionic strength: negligible M; pH: 4.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

CNS v1.2, Linge, O, . - structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMRView v5.0.4, Johnson, One Moon Scientific - data analysis

xwinnmr v3.0, 3.5, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
DBJ BAA13191 BAJ20602
GB AAB61534 AAC50943 AAH20698 AAS83520 AAX36111
REF NP_001123518 NP_004582 XP_002812986 XP_003779887 XP_003821884
SP P78556