BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 19045

Title: The NMR structure of the BID-BAK complex   PubMed: 23604079

Deposition date: 2013-02-19 Original release date: 2013-04-15

Authors: Grace, Christy; Kriwacki, Richard; Green, Douglas

Citation: Moldoveanu, Tudor; Grace, Christy; Llambi, Fabien; Nourse, Amanda; Fitzgerald, Patrick; Gehring, Kalle; Kriwacki, Richard; Green, Douglas. "BID-induced structural changes in BAK promote apoptosis."  Nat. Struct. Mol. Biol. 20, 589-597 (2013).

Assembly members:
human_cBAK, polymer, 169 residues, 18950.404 Da.
human_BID_BH3_SAHB, polymer, 23 residues, 2278.613 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
human_cBAK: ALPSASEEQVAQDTEEVFRS YVFYRHQQEQEAEGVAAPAD PEMVTLPLQPSSTMGQVGRQ LAIIGDDINRRYDSEFQTML QHLQPTAENAYEYFTKIATS LFESGINWGRVVALLGFGYR LALHVYQHGLTGFLGQVTRF VVDFMLHHCIARWIAQRGGW VAALNLGNG
human_BID_BH3_SAHB: EDIIRNIARHLAXVGDXXDR SIX

Data sets:
Data typeCount
13C chemical shifts556
15N chemical shifts176
1H chemical shifts1363

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1human_cBAK1
2human_BID_BH3_SAHB2

Entities:

Entity 1, human_cBAK 169 residues - 18950.404 Da.

1   ALALEUPROSERALASERGLUGLUGLNVAL
2   ALAGLNASPTHRGLUGLUVALPHEARGSER
3   TYRVALPHETYRARGHISGLNGLNGLUGLN
4   GLUALAGLUGLYVALALAALAPROALAASP
5   PROGLUMETVALTHRLEUPROLEUGLNPRO
6   SERSERTHRMETGLYGLNVALGLYARGGLN
7   LEUALAILEILEGLYASPASPILEASNARG
8   ARGTYRASPSERGLUPHEGLNTHRMETLEU
9   GLNHISLEUGLNPROTHRALAGLUASNALA
10   TYRGLUTYRPHETHRLYSILEALATHRSER
11   LEUPHEGLUSERGLYILEASNTRPGLYARG
12   VALVALALALEULEUGLYPHEGLYTYRARG
13   LEUALALEUHISVALTYRGLNHISGLYLEU
14   THRGLYPHELEUGLYGLNVALTHRARGPHE
15   VALVALASPPHEMETLEUHISHISCYSILE
16   ALAARGTRPILEALAGLNARGGLYGLYTRP
17   VALALAALALEUASNLEUGLYASNGLY

Entity 2, human_BID_BH3_SAHB 23 residues - 2278.613 Da.

1   GLUASPILEILEARGASNILEALAARGHIS
2   LEUALAMK8VALGLYASPMK8NLEASPARG
3   SERILENH2

Samples:

SAHB-BAK: human cBAK, [U-98% 13C; U-98% 15N], 0.5 mM; human BID BH3 SAHB 0.5 mM; Phosphate buffer 20 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 6.8; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCSAHB-BAKisotropicsample_conditions_1
2D 1H-13C HSQCSAHB-BAKisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticSAHB-BAKisotropicsample_conditions_1
2D 1H-13C HSQC aromaticSAHB-BAKisotropicsample_conditions_1
2D 1H-1H TOCSYSAHB-BAKisotropicsample_conditions_1
2D 1H-1H COSYSAHB-BAKisotropicsample_conditions_1
3D CBCA(CO)NHSAHB-BAKisotropicsample_conditions_1
3D HNCASAHB-BAKisotropicsample_conditions_1
3D HNCACBSAHB-BAKisotropicsample_conditions_1
3D HBHA(CBCACO)NHSAHB-BAKisotropicsample_conditions_1
3D 1H HCCH-TOCSYSAHB-BAKisotropicsample_conditions_1
3D 13C-detected HCC-TOCSYSAHB-BAKisotropicsample_conditions_1
2D 1H-15N TROSYSAHB-BAKisotropicsample_conditions_1
3D 1H-15N NOESYSAHB-BAKisotropicsample_conditions_1
3D 1H-15N TOCSYSAHB-BAKisotropicsample_conditions_1
3D 1H-13C NOESYSAHB-BAKisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticSAHB-BAKisotropicsample_conditions_1
3D 1H-13C NOESY aromaticSAHB-BAKisotropicsample_conditions_1
2D 13C-1H TROSYSAHB-BAKisotropicsample_conditions_1
3D 13C/15N half-filtered 15N-edited NOESYSAHB-BAKisotropicsample_conditions_1
3D 13C/15N half-filtered 13C-edited NOESYSAHB-BAKisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin, Guntert, Mumenthaler and Wuthrich, Keller and Wuthrich - chemical shift assignment, processing, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

GB AAA74466 AAA74466 AAA93066 AAH04431 AAO74828 AAX32376 CAG30275
PDB
DBJ BAA13606 BAF84782 BAG52419 BAG57025 BAG64474
EMBL CAA58997 CAG33700 CAI46254
PRF 2110382A 2110383A 2110384A
REF NP_001179 NP_001253660 XP_003808607 XP_003897507 XP_003897509
SP Q16611

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts