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 16891

Title: Backbone 1H, 13C and 15N Chemical Shift Assignments for the free alpha chain of human haemoglobin

Deposition date: 2010-04-22 Original release date: 2010-04-26

Authors: Gell, David

Citation: Dickson, Claire; KrishnaKumar, Kaavya; Mackay, Joel; Gell, david. "Assigned chemical shifts for the free alpha chain of haemoglobin"  .

Assembly members:
HBA1, polymer, 141 residues, Formula weight is not available
HEM, non-polymer, 616.487 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   Vector: pHE7

Entity Sequences (FASTA):
HBA1: VLSPADKTNVKAAWGKVGAH AGEYGAEALERMFLSFPTTK TYFPHFDLSHGSAQVKGHGK KVADALTNAVAHVDDMPNAL SALSDLHAHKLRVDPVNFKL LSHCLLVTLAAHLPAEFTPA VHASLDKFLASVSTVLTSKY R

Data sets:
Data typeCount
13C chemical shifts219
15N chemical shifts113
1H chemical shifts113

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1alpha globin polypeptide, 11
2alpha globin polypeptide, 21
3haem, 12
4haem, 22

Entities:

Entity 1, alpha globin polypeptide, 1 141 residues - Formula weight is not available

1   VALLEUSERPROALAASPLYSTHRASNVAL
2   LYSALAALATRPGLYLYSVALGLYALAHIS
3   ALAGLYGLUTYRGLYALAGLUALALEUGLU
4   ARGMETPHELEUSERPHEPROTHRTHRLYS
5   THRTYRPHEPROHISPHEASPLEUSERHIS
6   GLYSERALAGLNVALLYSGLYHISGLYLYS
7   LYSVALALAASPALALEUTHRASNALAVAL
8   ALAHISVALASPASPMETPROASNALALEU
9   SERALALEUSERASPLEUHISALAHISLYS
10   LEUARGVALASPPROVALASNPHELYSLEU
11   LEUSERHISCYSLEULEUVALTHRLEUALA
12   ALAHISLEUPROALAGLUPHETHRPROALA
13   VALHISALASERLEUASPLYSPHELEUALA
14   SERVALSERTHRVALLEUTHRSERLYSTYR
15   ARG

Entity 2, haem, 1 - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: HBA1, [U-98% 13C; U-98% 15N], 0.6 – 0.9 mM; haem0.6 – 0.9 mM; DSS 40 uM

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin, Goddard - chemical shift assignment, collection

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 1101 16898 25 2707 2709 2868 3442
PDB
DBJ BAD97112 BAJ20323
EMBL CAA23748 CAA23750 CAA23751 CAA23752 CAA23774
GB AAA52632 AAA66030 AAA66031 AAB59407 AAB59408
PRF 0404170A 0907233A 1004272B 1509322A 610524A
REF NP_000508 NP_000549 NP_001036091 NP_001036092 NP_001125901
SP P01923 P01924 P06635 P18972 P21766
AlphaFold P18972 P21766 P06635 P01923 P01924

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