BMRB Entry 26711

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26711

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Title:
Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:05 in complex with the peptide TIS
Deposition date:
2015-12-05
Original release date:
2015-12-22
Authors:
Ballaschk, Martin; Ziegler, Andreas; Uchanska-Ziegler, Barbara; Diehl, Anne; Schmieder, Peter
Citation:

Citation: Horne, James; d'Auvergne, Edward; Coles, Murray; Velkov, Tony; Chen, Yanni; Charman, William; Prankerd, Richard; Gooley, Paul; J., Martin. "Flexibility of the DsbA Oxidoreductase from Vibrio cholerae - a 15N - 1H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA"  J Mol Biol 371, 703-716 (2007).

Assembly members:

Assembly members:
1w0v-hkca_mol1, polymer, 292 residues, Formula weight is not available
1w0v-hkca_mol2, polymer, 100 residues, Formula weight is not available
1w0v-hkca_mol3, polymer, 9 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   Host organism: Escherichia coli   Vector: pET 46 Ek/LIC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
1w0v-hkca_mol1: MAHHHHHHVDDDDKIGSHSM RYFHTSVSRPGRGEPRFITV GYVDDTLFVRFDSDAASPRE EPRAPWIEQEGPEYWDRETQ ICKAKAQTDREDLRTLLRYY NQSEAGSHTLQNMYGCDVGP DGRLLRGYHQDAYDGKDYIA LNEDLSSWTAADTAAQITQR KWEAARVAEQLRAYLEGECV EWLRRYLENGKETLQRADPP KTHVTHHPISDHEATLRCWA LGFYPAEITLTWQRDGEDQT QDTELVETRPAGDRTFQKWA AVVVPSGEEQRYTCHVQHEG LPKPLTLRWEPS
1w0v-hkca_mol2: MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM
1w0v-hkca_mol3: RRLPIFSRL

Data typeCount
General relaxation values960
chemical shift anisotropy values240
heteronuclear NOE values480
order parameters240
tensors240

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1heavy chain1
2b2m2
3TIS3

Entities:

Entity 1, heavy chain 292 residues - Formula weight is not available

Residues 1-15 (-14-0) represent a non-native affinity tag. This is the extracellular domain of a membrane protein.

1   METALAHISHISHISHISHISHISVALASP
2   ASPASPASPLYSILEGLYSERHISSERMET
3   ARGTYRPHEHISTHRSERVALSERARGPRO
4   GLYARGGLYGLUPROARGPHEILETHRVAL
5   GLYTYRVALASPASPTHRLEUPHEVALARG
6   PHEASPSERASPALAALASERPROARGGLU
7   GLUPROARGALAPROTRPILEGLUGLNGLU
8   GLYPROGLUTYRTRPASPARGGLUTHRGLN
9   ILECYSLYSALALYSALAGLNTHRASPARG
10   GLUASPLEUARGTHRLEULEUARGTYRTYR
11   ASNGLNSERGLUALAGLYSERHISTHRLEU
12   GLNASNMETTYRGLYCYSASPVALGLYPRO
13   ASPGLYARGLEULEUARGGLYTYRHISGLN
14   ASPALATYRASPGLYLYSASPTYRILEALA
15   LEUASNGLUASPLEUSERSERTRPTHRALA
16   ALAASPTHRALAALAGLNILETHRGLNARG
17   LYSTRPGLUALAALAARGVALALAGLUGLN
18   LEUARGALATYRLEUGLUGLYGLUCYSVAL
19   GLUTRPLEUARGARGTYRLEUGLUASNGLY
20   LYSGLUTHRLEUGLNARGALAASPPROPRO
21   LYSTHRHISVALTHRHISHISPROILESER
22   ASPHISGLUALATHRLEUARGCYSTRPALA
23   LEUGLYPHETYRPROALAGLUILETHRLEU
24   THRTRPGLNARGASPGLYGLUASPGLNTHR
25   GLNASPTHRGLULEUVALGLUTHRARGPRO
26   ALAGLYASPARGTHRPHEGLNLYSTRPALA
27   ALAVALVALVALPROSERGLYGLUGLUGLN
28   ARGTYRTHRCYSHISVALGLNHISGLUGLY
29   LEUPROLYSPROLEUTHRLEUARGTRPGLU
30   PROSER

Entity 2, b2m 100 residues - Formula weight is not available

The first residue (0, M) is the start codon from the bacterial expression system and hence not present in the native protein.

1   METILEGLNARGTHRPROLYSILEGLNVAL
2   TYRSERARGHISPROALAGLUASNGLYLYS
3   SERASNPHELEUASNCYSTYRVALSERGLY
4   PHEHISPROSERASPILEGLUVALASPLEU
5   LEULYSASNGLYGLUARGILEGLULYSVAL
6   GLUHISSERASPLEUSERPHESERLYSASP
7   TRPSERPHETYRLEULEUTYRTYRTHRGLU
8   PHETHRPROTHRGLULYSASPGLUTYRALA
9   CYSARGVALASNHISVALTHRLEUSERGLN
10   PROLYSILEVALLYSTRPASPARGASPMET

Entity 3, TIS 9 residues - Formula weight is not available

This antigen is derived from epidermal growth factor response factor 1.

1   ARGARGLEUPROILEPHESERARGLEU

Samples:

sample_1: 1w0v-hkca_mol1, [U-15N; U-2H], 0.330 mM; 1w0v-hkca_mol2 0.330 mM; 1w0v-hkca_mol3 0.330 mM; H2O 90%; D2O 10%; sodium chloride 150 mM; sodium phosphate 10 mM

sample_2: 1w0v-hkca_mol1, [U-2H], 0.330 mM; 1w0v-hkca_mol2, [U-15N], 0.330 mM; 1w0v-hkca_mol3 0.330 mM; H2O 90%; D2O 10%; sodium chloride 150 mM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 0.160 M; pH: 7.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
600.18 MHz R1sample_1isotropicsample_conditions_1
600.18 MHz R2sample_1isotropicsample_conditions_1
600.18 MHz steady-state NOEsample_1isotropicsample_conditions_1
750.46 MHz R1sample_1isotropicsample_conditions_1
750.46 MHz R2sample_1isotropicsample_conditions_1
750.46 MHz steady-state NOEsample_1isotropicsample_conditions_1
600.18 MHz R1sample_2isotropicsample_conditions_1
600.18 MHz R2sample_2isotropicsample_conditions_1
600.18 MHz steady-state NOEsample_2isotropicsample_conditions_1
750.46 MHz R1sample_2isotropicsample_conditions_1
750.46 MHz R2sample_2isotropicsample_conditions_1
750.46 MHz steady-state NOEsample_2isotropicsample_conditions_1

Software:

relax vrepository checkout, The relax development team - data processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 750 MHz