BMRB Entry 19489

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19489
MolProbity Validation Chart

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Title:
NMR SOLUTION STRUCTURE OF MSP-P56S DOMAIN/VAPB in DPC
Deposition date:
2013-09-11
Original release date:
2013-10-18
Authors:
Qin, Haina; Lim, Liang Zhong; Song, Jianxing
Citation:

Citation: Qin, Haina; Wang, Wei; Song, Jianxing. "ALS-causing P56S mutation and splicing variation on the hVAPB MSP domain transform its -sandwich fold into lipid-interacting helical conformations."  Biochem. Biophys. Res. Commun. 431, 398-403 (2013).
PubMed: 23333387

Assembly members:

Assembly members:
entity, polymer, 125 residues, 14206.426 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-4T-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MAKVEQVLSLEPQHELKFRG PFTDVVTTNLKLGNPTDRNV CFKVKTTAPRRYCVRSNSGI IDAGASINVSVMLQPFDYDP NEKSKHKFMVQSMFAPTDTS DMEAVWKEAKPEDLMDSKLR CVFEL

Data sets:
Data typeCount
13C chemical shifts230
15N chemical shifts118
1H chemical shifts620

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MSP-P56S DOMAIN/VAPB1

Entities:

Entity 1, MSP-P56S DOMAIN/VAPB 125 residues - 14206.426 Da.

1   METALALYSVALGLUGLNVALLEUSERLEU
2   GLUPROGLNHISGLULEULYSPHEARGGLY
3   PROPHETHRASPVALVALTHRTHRASNLEU
4   LYSLEUGLYASNPROTHRASPARGASNVAL
5   CYSPHELYSVALLYSTHRTHRALAPROARG
6   ARGTYRCYSVALARGSERASNSERGLYILE
7   ILEASPALAGLYALASERILEASNVALSER
8   VALMETLEUGLNPROPHEASPTYRASPPRO
9   ASNGLULYSSERLYSHISLYSPHEMETVAL
10   GLNSERMETPHEALAPROTHRASPTHRSER
11   ASPMETGLUALAVALTRPLYSGLUALALYS
12   PROGLUASPLEUMETASPSERLYSLEUARG
13   CYSVALPHEGLULEU

Samples:

sample_1: MSP-P56S DOMAIN/VAPB, [U-13C; U-15N], mM; DPC 20 mM

pH4_313K: pH: 4; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicpH4_313K
3D 1H-15N TOCSYsample_1isotropicpH4_313K
3D 1H-15N NOESYsample_1isotropicpH4_313K
3D HCCH-TOCSYsample_1isotropicpH4_313K
3D HBHA(CO)NHsample_1isotropicpH4_313K
3D HN(CO)CAsample_1isotropicpH4_313K
3D HNCACBsample_1isotropicpH4_313K
3D HNCOsample_1isotropicpH4_313K
3D C(CO)NHsample_1isotropicpH4_313K

Software:

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

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAC56577 BAE89665 BAG51174 BAI47207
EMBL CAN13351
GB AAD13577 AAD13578 AAH01712 AAI33498 AAP88813
REF NP_001075892 NP_001116685 NP_001182606 NP_001244417 NP_001274609
SP A2VDZ9 A5GFS8 O95292
TPG DAA23133
AlphaFold A2VDZ9 A5GFS8 O95292

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