BMRB Entry 51100

Title:
Methyl resonance assignments of beta-2 microglobulin in complex with HLA-B*44:05T73C/EEFGRC and tapasin
Deposition date:
2021-09-24
Original release date:
2022-10-12
Authors:
Truong, Hau; Sgourakis, Nikolaos
Citation:

Citation: Jiang, Jiansheng; Taylor, Daniel; Kim, Ellen; Boyd, Lisa; Ahmad, Javeed; Mage, Michael; Truong, Hau; Woodward, Claire; Sgourakis, Nikolaos; Cresswell, Peter; Margulies, David; Natarajan, Kannan. "Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation"  Nat. Commun. 13, 5470-5470 (2022).
PubMed: 36115831

Assembly members:

Assembly members:
entity_1, polymer, 277 residues, Formula weight is not available
entity_2, polymer, 100 residues, Formula weight is not available
entity_3, polymer, 6 residues, Formula weight is not available
entity_4, polymer, 406 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: pET22B+

Data sets:
Data typeCount
13C chemical shifts18
1H chemical shifts54

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HLA-B*44:051
2Beta-2 microglobulin2
3peptide3
4tapasin4

Entities:

Entity 1, HLA-B*44:05 277 residues - Formula weight is not available

1   METGLYSERHISSERMETARGTYRPHETYR
2   THRALAMETSERARGPROGLYARGGLYGLU
3   PROARGPHEILETHRVALGLYTYRVALASP
4   ASPTHRLEUPHEVALARGPHEASPSERASP
5   ALATHRSERPROARGLYSGLUPROARGALA
6   PROTRPILEGLUGLNGLUGLYPROGLUTYR
7   TRPASPARGGLUTHRGLNILESERLYSTHR
8   ASNTHRGLNCYSTYRARGGLUASNLEUARG
9   THRALALEUARGTYRTYRASNGLNSERGLU
10   ALAGLYSERHISILEILEGLNARGMETTYR
11   GLYCYSASPVALGLYPROASPGLYARGLEU
12   LEUARGGLYTYRASPGLNTYRALATYRASP
13   GLYLYSASPTYRILEALALEUASNGLUASP
14   LEUSERSERTRPTHRALAALAASPTHRALA
15   ALAGLNILETHRGLNARGLYSTRPGLUALA
16   ALAARGVALALAGLUGLNASPARGALATYR
17   LEUGLUGLYLEUCYSVALGLUSERLEUARG
18   ARGTYRLEUGLUASNGLYLYSGLUTHRLEU
19   GLNARGALAASPPROPROLYSTHRHISVAL
20   THRHISHISPROILESERASPHISGLUVAL
21   THRLEUARGCYSTRPALALEUGLYPHETYR
22   PROALAGLUILETHRLEUTHRTRPGLNARG
23   ASPGLYGLUASPGLNTHRGLNASPTHRGLU
24   LEUVALGLUTHRARGPROALAGLYASPARG
25   THRPHEGLNLYSTRPALAALAVALVALVAL
26   PROSERGLYGLUGLUGLNARGTYRTHRCYS
27   HISVALGLNHISGLUGLYLEUPROLYSPRO
28   LEUTHRLEUARGTRPGLUPRO

Entity 2, Beta-2 microglobulin 100 residues - Formula weight is not available

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

Entity 3, peptide 6 residues - Formula weight is not available

1   GLUGLUPHEGLYARGCYS

Entity 4, tapasin 406 residues - Formula weight is not available

1   GLUASPALASERGLYLYSGLYLEUALALYS
2   ARGPROGLYALALEULEULEUARGGLNGLY
3   PROGLYGLUPROPROPROARGPROASPLEU
4   ASPPROASPLEUTYRLEUSERVALHISASP
5   PROALAGLYALALEUGLNALAALAPHEARG
6   ARGTYRPROARGGLYALAPROALAPROHIS
7   CYSGLUMETSERARGPHEVALPROLEUPRO
8   ALASERALALYSTRPALASERGLYLEUTHR
9   PROALAGLNASNCYSPROARGALALEUASP
10   GLYALATRPLEUMETVALSERILESERSER
11   PROVALLEUSERLEUSERSERLEULEUARG
12   PROGLNPROGLUPROGLNGLNGLUPROVAL
13   LEUILETHRMETALATHRVALVALLEUTHR
14   VALLEUTHRHISTHRPROALAPROARGVAL
15   ARGLEUGLYGLNASPALALEULEUASPLEU
16   SERPHEALATYRMETPROPROTHRSERGLU
17   ALAALASERSERLEUALAPROGLYPROPRO
18   PROPHEGLYLEUGLUTRPARGARGGLNHIS
19   LEUGLYLYSGLYHISLEULEULEUALAALA
20   THRPROGLYLEUASNGLYGLNMETPROALA
21   ALAGLNGLUGLYALAVALALAPHEALAALA
22   TRPASPASPASPGLUPROTRPGLYPROTRP
23   THRGLYASNGLYTHRPHETRPLEUPROARG
24   VALGLNPROPHEGLNGLUGLYTHRTYRLEU
25   ALATHRILEHISLEUPROTYRLEUGLNGLY
26   GLNVALTHRLEUGLULEUALAVALTYRLYS
27   PROPROLYSVALSERLEUMETPROALATHR
28   LEUALAARGALAALAPROGLYGLUALAPRO
29   PROGLULEULEUCYSLEUVALSERHISPHE
30   TYRPROSERGLYGLYLEUGLUVALGLUTRP
31   GLULEUARGGLYGLYPROGLYGLYARGSER
32   GLNLYSALAGLUGLYGLNARGTRPLEUSER
33   ALALEUARGHISHISSERASPGLYSERVAL
34   SERLEUSERGLYHISLEUGLNPROPROPRO
35   VALTHRTHRGLUGLNHISGLYALAARGTYR
36   ALACYSARGILEHISHISPROSERLEUPRO
37   ALASERGLYARGSERALAGLUVALTHRLEU
38   GLUGLYGLYLEUGLUVALLEUPHEGLNGLY
39   PROGLYGLYGLYLEUASNASPILEPHEGLU
40   ALAGLNLYSILEGLUTRPHISGLUGLYGLY
41   HISHISHISHISHISHIS

Samples:

sample_1: Human Beta-2 microglobulin, [Ala 13C; Ile 13C 1; Leu 13C 1/13C 2; Val 13C 1/13C], 300 uM; HLA-B*44:05 300 uM; tapasin 300 uM; peptide 300 uM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 1.6 mM; EDTA 5 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicsample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

NMRPipe - processing

NMR spectrometers:

  • Bruker AVANCE III 700 MHz