BMRB Entry 19045

Name: The NMR structure of the BID-BAK complex
Published: 2013-04-15

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PDB ID: 2m5b
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19045
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	556
15N chemical shifts	176
1H chemical shifts	1363

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	human_cBAK	1
2	human_BID_BH3_SAHB	2

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	SAHB-BAK	isotropic	sample_conditions_1
2D 1H-13C HSQC	SAHB-BAK	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	SAHB-BAK	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	SAHB-BAK	isotropic	sample_conditions_1
2D 1H-1H TOCSY	SAHB-BAK	isotropic	sample_conditions_1
2D 1H-1H COSY	SAHB-BAK	isotropic	sample_conditions_1
3D CBCA(CO)NH	SAHB-BAK	isotropic	sample_conditions_1
3D HNCA	SAHB-BAK	isotropic	sample_conditions_1
3D HNCACB	SAHB-BAK	isotropic	sample_conditions_1
3D HBHA(CBCACO)NH	SAHB-BAK	isotropic	sample_conditions_1
3D 1H HCCH-TOCSY	SAHB-BAK	isotropic	sample_conditions_1
3D 13C-detected HCC-TOCSY	SAHB-BAK	isotropic	sample_conditions_1
2D 1H-15N TROSY	SAHB-BAK	isotropic	sample_conditions_1
3D 1H-15N NOESY	SAHB-BAK	isotropic	sample_conditions_1
3D 1H-15N TOCSY	SAHB-BAK	isotropic	sample_conditions_1
3D 1H-13C NOESY	SAHB-BAK	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	SAHB-BAK	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	SAHB-BAK	isotropic	sample_conditions_1
2D 13C-1H TROSY	SAHB-BAK	isotropic	sample_conditions_1
3D 13C/15N half-filtered 15N-edited NOESY	SAHB-BAK	isotropic	sample_conditions_1
3D 13C/15N half-filtered 13C-edited NOESY	SAHB-BAK	isotropic	sample_conditions_1

GB	AAA74466 AAA74466 AAA93066 AAH04431 AAO74828 AAX32376 CAG30275
PDB	2IMS 2IMT 2JCN 2M5B 2YV6 4U2U 2M5B
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

Biological Magnetic Resonance Data Bank

BMRB Entry 19045

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

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