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 34365

Title: Solid-state NMR structure of outer membrane protein AlkL in DMPC lipid bilayers   PubMed: 32817429

Deposition date: 2019-03-06 Original release date: 2020-03-16

Authors: Schubeis, T.; Andreas, L.; Pintacuda, G.

Citation: Schubeis, Tobias; Le Marchand, Tanguy; Daday, Csaba; Kopec, Wojciech; Tekwani Movellan, Kumar; Stanek, Jan; Schwarzer, Tom; Castiglione, Kathrin; de Groot, Bert; Pintacuda, Guido; Andreas, Loren. "A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL"  Proc. Natl. Acad. Sci. U.S.A. 117, 21014-21021 (2020).

Assembly members:
entity_1, polymer, 219 residues, 24087.912 Da.

Natural source:   Common Name: Pseudomonas oleovorans   Taxonomy ID: 301   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas oleovorans

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

Entity Sequences (FASTA):
entity_1: MNENYPAKSAGYNQGDWVAS FNFSKVYVGEELGDLNVGGG ALPNADVSIGNDTTLTFDIA YFVSSNIAVDFFVGVPARAK FQGEKSISSLGRVSEVDYGP AILSLQYHYDSFERLYPYVG VGVGRVLFFDKTDGALSSFD IKDKWAPAFQVGLRYDLGNS WMLNSDVRYIPFKTDVTGTL GPVPVSTKIEVDPFILSLGA SYVFKLAAALEHHHHHHHH

Data sets:
Data typeCount
13C chemical shifts591
15N chemical shifts172
1H chemical shifts804

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 219 residues - 24087.912 Da.

1   METASNGLUASNTYRPROALALYSSERALA
2   GLYTYRASNGLNGLYASPTRPVALALASER
3   PHEASNPHESERLYSVALTYRVALGLYGLU
4   GLULEUGLYASPLEUASNVALGLYGLYGLY
5   ALALEUPROASNALAASPVALSERILEGLY
6   ASNASPTHRTHRLEUTHRPHEASPILEALA
7   TYRPHEVALSERSERASNILEALAVALASP
8   PHEPHEVALGLYVALPROALAARGALALYS
9   PHEGLNGLYGLULYSSERILESERSERLEU
10   GLYARGVALSERGLUVALASPTYRGLYPRO
11   ALAILELEUSERLEUGLNTYRHISTYRASP
12   SERPHEGLUARGLEUTYRPROTYRVALGLY
13   VALGLYVALGLYARGVALLEUPHEPHEASP
14   LYSTHRASPGLYALALEUSERSERPHEASP
15   ILELYSASPLYSTRPALAPROALAPHEGLN
16   VALGLYLEUARGTYRASPLEUGLYASNSER
17   TRPMETLEUASNSERASPVALARGTYRILE
18   PROPHELYSTHRASPVALTHRGLYTHRLEU
19   GLYPROVALPROVALSERTHRLYSILEGLU
20   VALASPPROPHEILELEUSERLEUGLYALA
21   SERTYRVALPHELYSLEUALAALAALALEU
22   GLUHISHISHISHISHISHISHISHIS

Samples:

sample_1: Outer membrane protein AlkL, [U-13C; U-15N], 0.5 w/w

sample_2: Outer membrane protein AlkL, [U-13C; U-15N; U-2H], 0.5 w/w

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
3D hCANHsample_1isotropicsample_conditions_1
3D hCONHsample_1isotropicsample_conditions_1
3D hcoCAcoNHsample_1isotropicsample_conditions_1
3D hcaCBcaNHsample_1isotropicsample_conditions_1
3D hcaCBcacoNHsample_1isotropicsample_conditions_1
3D hNCAHasample_1isotropicsample_conditions_1
3D hNcoCAHasample_1isotropicsample_conditions_1
3D hCOCAHasample_1isotropicsample_conditions_1
3D hCOnCAHasample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D hCANHsample_2isotropicsample_conditions_1
3D hCONHsample_2isotropicsample_conditions_1
3D hcoCAcoNHsample_2isotropicsample_conditions_1
3D hCOcaNHsample_2isotropicsample_conditions_1
3D hNHH BASS-SDsample_1isotropicsample_conditions_1
3D hNNH BASS-SDsample_1isotropicsample_conditions_1
3D hCCH BASS-SDsample_1isotropicsample_conditions_1
3D hNHH RFDRsample_1isotropicsample_conditions_1
3D hCHH RFDRsample_1isotropicsample_conditions_1
4D HNNH RFDRsample_2isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Sparky, Goddard - chemical shift assignment

CcpNmr Analysis, CCPN - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

  • Bruker AVANCE III 1000 MHz
  • Bruker AVANCE III 800 MHz

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