BMRB Entry 18941

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18941

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Title:
Backbone 1H, 13C, and 15N chemical shift assignments for the LFA-1 wild type I-domain
Deposition date:
2013-01-07
Original release date:
2013-01-24
Authors:
Zimmerman, Tahl; Blanco, Francisco
Citation:

Citation: Zimmerman, Tahl; Oyarzabal, Julen; San-Sebastian, Eider; Majumdar, Sumit; Tejo, Bimo; Siahaan, Teruna; Blanco, Francisco. "ICAM-1 peptide inhibitors of T-cell adhesion bind to the allosteric site of LFA-1. An NMR characterization"  Chem. Biol. Drug Design 70, 347-353 (2007).
PubMed: 17868072

Assembly members:

Assembly members:
LFA-1_I-domain, polymer, 181 residues, 20682.7 Da.

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: pET11d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LFA-1_I-domain: MGNVDLVFLFDGSMSLQPDE FQKILDFMKDVMKKLSNTSY QFAAVQFSTSYKTEFDFSDY VKRKDPDALLKHVKHMLLLT NTFGAINYVATEVFREELGA RPDATKVLIIITDGEATDSG NIDAAKDIIRYIIGIGKHFQ TKESQETLHKFASKPASEFV KILDTFEKLKDLFTELQKKI Y

Data sets:
Data typeCount
13C chemical shifts447
15N chemical shifts175
1H chemical shifts305

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1LFA-1 I-domain1

Entities:

Entity 1, LFA-1 I-domain 181 residues - 20682.7 Da.

Residues 127-128 come from the cloning and do not belong to the native protein

1   METGLYASNVALASPLEUVALPHELEUPHE
2   ASPGLYSERMETSERLEUGLNPROASPGLU
3   PHEGLNLYSILELEUASPPHEMETLYSASP
4   VALMETLYSLYSLEUSERASNTHRSERTYR
5   GLNPHEALAALAVALGLNPHESERTHRSER
6   TYRLYSTHRGLUPHEASPPHESERASPTYR
7   VALLYSARGLYSASPPROASPALALEULEU
8   LYSHISVALLYSHISMETLEULEULEUTHR
9   ASNTHRPHEGLYALAILEASNTYRVALALA
10   THRGLUVALPHEARGGLUGLULEUGLYALA
11   ARGPROASPALATHRLYSVALLEUILEILE
12   ILETHRASPGLYGLUALATHRASPSERGLY
13   ASNILEASPALAALALYSASPILEILEARG
14   TYRILEILEGLYILEGLYLYSHISPHEGLN
15   THRLYSGLUSERGLNGLUTHRLEUHISLYS
16   PHEALASERLYSPROALASERGLUPHEVAL
17   LYSILELEUASPTHRPHEGLULYSLEULYS
18   ASPLEUPHETHRGLULEUGLNLYSLYSILE
19   TYR

Related Database Links:

UNP P20701
PIR S03308
BMRB 4553
PDB 1CQP 1DGQ 1LFA 1MJN 1MQ8 1MQ9 1MQA 1RD4 1T0P 1XDD 1XDG 1XUO 1ZON 1ZOO 1ZOP 2ICA 2O7N 3BN3 3BQM 3BQN 3E2M 3EOA 3EOB 3F74 3F78 3HI6 3M6F 3TCX 4IXD
DBJ BAG36913
EMBL CAA68747
GB AAC31672 AAQ14923 AAZ38713 EAW52244 EAW52245
REF NP_001029341 NP_002200 XP_001100800 XP_004057549 XP_005255370
SP P20701
AlphaFold Q9UBC8 P20701

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