BMRB Entry 28108

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28108

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Title:
ILVproS methyl chemical shift assignments of HLA-A*02:01, a human major histocompatibility complex heavy chain, peptide-deficient and bound to human beta-2 microglobulin and the molecular chaperone TAPBPR
Deposition date:
2020-03-24
Original release date:
2020-04-02
Authors:
McShan, Andrew; Sgourakis, Nikolaos
Citation:

Citation: McShan, Andrew; Devlin, Christine; Morozov, Giora; Overall, Sarah; Moschidi, Danai; Akella, Neha; Procko, Erik; Sgourakis, Nikolaos. "TAPBPR Promotes Loading of Cargo on MHC-I Molecules Using a Peptide Trap"  Nat. Commun. 12, 3174-3174 (2021).
PubMed: 34039964

Assembly members:

Assembly members:
HLA-A*02:01, polymer, 276 residues, Formula weight is not available
human_beta-2_microglobulin, polymer, 99 residues, Formula weight is not available
TAPBPR, polymer, 421 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HLA-A*02:01: GSHSMRYFFTSVSRPGRGEP RFIAVGYVDDTQFVRFDSDA ASQRMEPRAPWIEQEGPEYW DGETRKVKAHSQTHRVDLGT LRGYYNQSEAGSHTVQRMYG CDVGSDWRFLRGYHQYAYDG KDYIALKEDLRSWTAADMAA QTTKHKWEAAHVAEQLRAYL EGTCVEWLRRYLENGKETLQ RTDAPKTHMTHHAVSDHEAT LRCWALSFYPAEITLTWQRD GEDQTQDTELVETRPAGDGT FQKWAAVVVPSGQEQRYTCH VQHEGLPKPLTLRWEP
human_beta-2_microglobulin: IQRTPKIQVYSRHPAENGKS NFLNCYVSGFHPSDIEVDLL KNGERIEKVEHSDLSFSKDW SFYLLYYTEFTPTEKDEYAC RVNHVTLSQPKIVKWDRDM
TAPBPR: KPHPAEGQWRAVDVVLDCFL VKDGAHRGALASSEDRARAS LVLKQVPVLDDGSLEDFTDF QGGTLAQDDPPIIFEASVDL VQIPQAEALLHADCSGKEVT CEISRYFLQMTETTVKTAAW FMANVQVSGGGPSISLVMKT PRVAKNEVLWHPTLNLPLSP QGTVRTAVEFQVMTQTQSLS FLLGSSASLDCGFSMAPGLD LISVEWRLQHKGRGQLVYSW TAGQGQAVRKGATLEPAQLG MARDASLTLPGLTIQDEGTY ICQITTSLYRAQQIIQLNIQ ASPKVRLSLANEALLPTLIC DIAGYYPLDVVVTWTREELG GSPAQVSGASFSSLRQSVAG TYSISSSLTAEPGSAGATYT CQVTHISLEEPLGASTQVVP PERRLEGGLEVLFQGPGGGL NDIFEAQKIEWHEGGHHHHH H

Data sets:
Data typeCount
13C chemical shifts30
1H chemical shifts90

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1HLA-A*02:011
2human beta-2 microglobulin2
3TAPBPR3

Entities:

Entity 1, HLA-A*02:01 276 residues - Formula weight is not available

1   GLYSERHISSERMETARGTYRPHEPHETHR
2   SERVALSERARGPROGLYARGGLYGLUPRO
3   ARGPHEILEALAVALGLYTYRVALASPASP
4   THRGLNPHEVALARGPHEASPSERASPALA
5   ALASERGLNARGMETGLUPROARGALAPRO
6   TRPILEGLUGLNGLUGLYPROGLUTYRTRP
7   ASPGLYGLUTHRARGLYSVALLYSALAHIS
8   SERGLNTHRHISARGVALASPLEUGLYTHR
9   LEUARGGLYTYRTYRASNGLNSERGLUALA
10   GLYSERHISTHRVALGLNARGMETTYRGLY
11   CYSASPVALGLYSERASPTRPARGPHELEU
12   ARGGLYTYRHISGLNTYRALATYRASPGLY
13   LYSASPTYRILEALALEULYSGLUASPLEU
14   ARGSERTRPTHRALAALAASPMETALAALA
15   GLNTHRTHRLYSHISLYSTRPGLUALAALA
16   HISVALALAGLUGLNLEUARGALATYRLEU
17   GLUGLYTHRCYSVALGLUTRPLEUARGARG
18   TYRLEUGLUASNGLYLYSGLUTHRLEUGLN
19   ARGTHRASPALAPROLYSTHRHISMETTHR
20   HISHISALAVALSERASPHISGLUALATHR
21   LEUARGCYSTRPALALEUSERPHETYRPRO
22   ALAGLUILETHRLEUTHRTRPGLNARGASP
23   GLYGLUASPGLNTHRGLNASPTHRGLULEU
24   VALGLUTHRARGPROALAGLYASPGLYTHR
25   PHEGLNLYSTRPALAALAVALVALVALPRO
26   SERGLYGLNGLUGLNARGTYRTHRCYSHIS
27   VALGLNHISGLUGLYLEUPROLYSPROLEU
28   THRLEUARGTRPGLUPRO

Entity 2, human beta-2 microglobulin 99 residues - Formula weight is not available

1   ILEGLNARGTHRPROLYSILEGLNVALTYR
2   SERARGHISPROALAGLUASNGLYLYSSER
3   ASNPHELEUASNCYSTYRVALSERGLYPHE
4   HISPROSERASPILEGLUVALASPLEULEU
5   LYSASNGLYGLUARGILEGLULYSVALGLU
6   HISSERASPLEUSERPHESERLYSASPTRP
7   SERPHETYRLEULEUTYRTYRTHRGLUPHE
8   THRPROTHRGLULYSASPGLUTYRALACYS
9   ARGVALASNHISVALTHRLEUSERGLNPRO
10   LYSILEVALLYSTRPASPARGASPMET

Entity 3, TAPBPR 421 residues - Formula weight is not available

1   LYSPROHISPROALAGLUGLYGLNTRPARG
2   ALAVALASPVALVALLEUASPCYSPHELEU
3   VALLYSASPGLYALAHISARGGLYALALEU
4   ALASERSERGLUASPARGALAARGALASER
5   LEUVALLEULYSGLNVALPROVALLEUASP
6   ASPGLYSERLEUGLUASPPHETHRASPPHE
7   GLNGLYGLYTHRLEUALAGLNASPASPPRO
8   PROILEILEPHEGLUALASERVALASPLEU
9   VALGLNILEPROGLNALAGLUALALEULEU
10   HISALAASPCYSSERGLYLYSGLUVALTHR
11   CYSGLUILESERARGTYRPHELEUGLNMET
12   THRGLUTHRTHRVALLYSTHRALAALATRP
13   PHEMETALAASNVALGLNVALSERGLYGLY
14   GLYPROSERILESERLEUVALMETLYSTHR
15   PROARGVALALALYSASNGLUVALLEUTRP
16   HISPROTHRLEUASNLEUPROLEUSERPRO
17   GLNGLYTHRVALARGTHRALAVALGLUPHE
18   GLNVALMETTHRGLNTHRGLNSERLEUSER
19   PHELEULEUGLYSERSERALASERLEUASP
20   CYSGLYPHESERMETALAPROGLYLEUASP
21   LEUILESERVALGLUTRPARGLEUGLNHIS
22   LYSGLYARGGLYGLNLEUVALTYRSERTRP
23   THRALAGLYGLNGLYGLNALAVALARGLYS
24   GLYALATHRLEUGLUPROALAGLNLEUGLY
25   METALAARGASPALASERLEUTHRLEUPRO
26   GLYLEUTHRILEGLNASPGLUGLYTHRTYR
27   ILECYSGLNILETHRTHRSERLEUTYRARG
28   ALAGLNGLNILEILEGLNLEUASNILEGLN
29   ALASERPROLYSVALARGLEUSERLEUALA
30   ASNGLUALALEULEUPROTHRLEUILECYS
31   ASPILEALAGLYTYRTYRPROLEUASPVAL
32   VALVALTHRTRPTHRARGGLUGLULEUGLY
33   GLYSERPROALAGLNVALSERGLYALASER
34   PHESERSERLEUARGGLNSERVALALAGLY
35   THRTYRSERILESERSERSERLEUTHRALA
36   GLUPROGLYSERALAGLYALATHRTYRTHR
37   CYSGLNVALTHRHISILESERLEUGLUGLU
38   PROLEUGLYALASERTHRGLNVALVALPRO
39   PROGLUARGARGLEUGLUGLYGLYLEUGLU
40   VALLEUPHEGLNGLYPROGLYGLYGLYLEU
41   ASNASPILEPHEGLUALAGLNLYSILEGLU
42   TRPHISGLUGLYGLYHISHISHISHISHIS
43   HIS

Samples:

sample_1: HLA-A*02:01, [U-15N] ILVproS, 80 uM; human beta-2 microglobulin 80 uM; TAPBPR 80 uM; NaCl 50 mM; sodium phosphate 20 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
3D 1H-13C NOESY methylsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance III HD 800 MHz