BMRB Entry 18942

Title:
alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide
Deposition date:
2013-01-07
Original release date:
2013-11-08
Authors:
Chin, Yanni; Headey, Stephen; Mohanty, Biswaranjan; McEwan, Paul; Swarbrick, James; Mulhern, Terrence; Emsley, Jonas; Simpson, Jamie; Scanlon, Martin
Citation:

Citation: Chin, Yanni K-Y; Headey, Stephen; Mohanty, Biswaranjan; Patil, Rahul; McEwan, Paul; Swarbrick, James; Mulhern, Terrence; Emsley, Jonas; Simpson, Jamie; Scanlon, Martin. "The structure of integrin 1I domain in complex with a collagen-mimetic peptide."  J. Biol. Chem. 288, 36796-36809 (2013).
PubMed: 24187131

Assembly members:

Assembly members:
entity_1, polymer, 192 residues, 21513.508 Da.
entity_2, polymer, 23 residues, 1936.040 Da.
entity_MG, non-polymer, 24.305 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: pET28a+

Data sets:
Data typeCount
13C chemical shifts740
15N chemical shifts189
1H chemical shifts1214

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1alpha-1 integrin I-domain1
2GLOGEN triple helical peptide, 12
3GLOGEN triple helical peptide, 22
4GLOGEN triple helical peptide, 32
5MG23

Entities:

Entity 1, alpha-1 integrin I-domain 192 residues - 21513.508 Da.

1   SERTHRGLNLEUASPILEVALILEVALLEU
2   ASPGLYSERASNSERILETYRPROTRPASP
3   SERVALTHRALAPHELEUASNASPLEULEU
4   GLUARGMETASPILEGLYPROLYSGLNTHR
5   GLNVALGLYILEVALGLNTYRGLYGLUASN
6   VALTHRHISGLUPHEASNLEUASNLYSTYR
7   SERSERTHRGLUGLUVALLEUVALALAALA
8   LYSLYSILEVALGLNARGGLYGLYARGGLN
9   THRMETTHRALALEUGLYILEASPTHRALA
10   ARGLYSGLUALAPHETHRGLUALAARGGLY
11   ALAARGARGGLYVALLYSLYSVALMETVAL
12   ILEVALTHRASPGLYGLUSERHISASPASN
13   HISARGLEULYSLYSVALILEGLNASPCYS
14   GLUASPGLUASNILEGLNARGPHESERILE
15   ALAILELEUGLYSERTYRASNARGGLYASN
16   LEUSERTHRGLULYSPHEVALGLUGLUILE
17   LYSSERILEALASERGLUPROTHRGLULYS
18   HISPHEPHEASNVALSERASPGLULEUALA
19   LEUVALTHRILEVALLYSTHRLEUGLYGLU
20   ARGILE

Entity 2, GLOGEN triple helical peptide, 1 23 residues - 1936.040 Da.

1   ACEGLYPROHYPGLYPROHYPGLYLEUHYP
2   GLYGLUASNGLYPROHYPGLYPROHYPGLY
3   PROHYPNH2

Entity 3, MG2 - Mg - 24.305 Da.

1   MG

Samples:

sample_1: entity_1, [U-98% 13C; U-98% 15N], 1.2 mM; entity_2 2.4 mM; HEPES 50 mM; NaCl 50 mM; MgCl2 5 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz

Related Database Links:

BMRB 18020 18021
PDB
DBJ BAG62150
GB AAI37122 AAI37123 EAW54866 EAW54867 EAW54868
REF NP_852478 XP_001094788 XP_002815595 XP_003276564 XP_003827398
SP P56199
AlphaFold P56199

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