BMRB Entry 18958

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18958
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
The Integrin L Transmembrane Domain in Bicelles: Structure and Interaction with Integrin 2
Deposition date:
2013-01-17
Original release date:
2014-01-27
Authors:
Surya, Wahyu; Li, Yan; Millet, Oscar; Diercks, Tammo; Torres, Jaume
Citation:

Citation: Surya, Wahyu; Li, Yan; Millet, Oscar; Diercks, Tammo; Torres, Jaume. "Transmembrane and Juxtamembrane Structure of L Integrin in Bicelles."  PLoS ONE 8, e74281-e74281 (2013).
PubMed: 24069290

Assembly members:

Assembly members:
integrin_aL_TM_domain, polymer, 50 residues, 5717.965 Da.
PL, non-polymer, Formula weight is not available
(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, non-polymer, 334.436 Da.
4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, non-polymer, 328.342 Da.

Natural source:

Natural source:   Common Name: Humans   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: BL21 codon-plus

Entity Sequences (FASTA):

Entity Sequences (FASTA):
integrin_aL_TM_domain: SNADVVYEKQMLYLYVLSGI GGLLLLLLIFIVLYKVGFFK RNLKEKMEAG

Data sets:
Data typeCount
13C chemical shifts170
15N chemical shifts54
1H chemical shifts408

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1integrin_aL_TM_domain1
2PL2
3LL5_13
4LL5_23
5LL5_33
6LL5_43
7LL5_53
8ORI_14
9LL5_63
10LL5_73
11LL5_83
12LL5_93
13LL5_103
14ORI_24

Entities:

Entity 1, integrin_aL_TM_domain 50 residues - 5717.965 Da.

1   SERASNALAASPVALVALTYRGLULYSGLN
2   METLEUTYRLEUTYRVALLEUSERGLYILE
3   GLYGLYLEULEULEULEULEULEUILEPHE
4   ILEVALLEUTYRLYSVALGLYPHEPHELYS
5   ARGASNLEULYSGLULYSMETGLUALAGLY

Entity 2, PL - Formula weight is not available

Entity 3, LL5_1 - C16 H22 N4 O2 S - 334.436 Da.

1   LL5

Entity 4, ORI_1 - C16 H12 N2 O4 S - 328.342 Da.

1   ORI

Samples:

sample_1: integrin_aL_TM_domain, [U-100% 13C; U-100% 15N], 0.6 mM; potassium phosphate 50 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN, Bruker Biospin - collection

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 700 MHz

Related Database Links:

PDB
DBJ BAG36913 BAG64283
EMBL CAA68747
GB AAC31672 AAH08777 AAP88867 AAQ14923 AAX29152
REF NP_001029341 NP_001107852 NP_002200 XP_001100800 XP_002826387
SP P20701
AlphaFold P20701

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