BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 4354

Title: Solution NMR Studies of a 42kDa Escherichia coli Maltose Binding Protein/ Beta-Cyclodextrin Complex: Chemical Shift Assignments and Analysis

Authors: Gardner, Kevin; Zhang, Xiaochen; Gehring, Kalle; Kay, Lewis

Citation: Gardner, Kevin; Zhang, Xiaochen; Gehring, Kalle; Kay, Lewis. "Solution NMR Studies of a 42kDa Escherichia coli Maltose Binding Protein/ Beta-Cyclodextrin Complex: Chemical Shift Assignments and Analysis"  J. Am. Chem. Soc. 120, 11738-11748 (1998).

Assembly members:
E. coli maltose binding protein, polymer, 370 residues, 40695.2 Da.
BCD, non-polymer, 1134.984 Da.

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

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

Entity Sequences (FASTA):
E. coli maltose binding protein: KTEEGKLVIWINGDKGYNGL AEVGKKFEKDTGIKVTVEHP DKLEEKFPQVAATGDGPDII FWAHDRFGGYAQSGLLAEIT PDKAFQDKLYPFTWDAVRYN GKLIAYPIAVEALSLIYNKD LLPNPPKTWEEIPALDKELK AKGKSALMFNLQEPYFTWPL IAADGGYAFKYENGKYDIKD VGVDNAGAKAGLTFLVDLIK NKHMNADTDYSIAEAAFNKG ETAMTINGPWAWSNIDTSKV NYGVTVLPTFKGQPSKPFVG VLSAGINAASPNKELAKEFL ENYLLTDEGLEAVNKDKPLG AVALKSYEEELAKDPRIAAT MENAQKGEIMPNIPQMSAFW YAVRTAVINAASGRQTVDEA LKDAQTRITK

Data sets:
Data typeCount
13C chemical shifts1198
15N chemical shifts330
1H chemical shifts752

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MBP1
2beta-cyclodextrin2

Entities:

Entity 1, MBP 370 residues - 40695.2 Da.

1   LYSTHRGLUGLUGLYLYSLEUVALILETRP
2   ILEASNGLYASPLYSGLYTYRASNGLYLEU
3   ALAGLUVALGLYLYSLYSPHEGLULYSASP
4   THRGLYILELYSVALTHRVALGLUHISPRO
5   ASPLYSLEUGLUGLULYSPHEPROGLNVAL
6   ALAALATHRGLYASPGLYPROASPILEILE
7   PHETRPALAHISASPARGPHEGLYGLYTYR
8   ALAGLNSERGLYLEULEUALAGLUILETHR
9   PROASPLYSALAPHEGLNASPLYSLEUTYR
10   PROPHETHRTRPASPALAVALARGTYRASN
11   GLYLYSLEUILEALATYRPROILEALAVAL
12   GLUALALEUSERLEUILETYRASNLYSASP
13   LEULEUPROASNPROPROLYSTHRTRPGLU
14   GLUILEPROALALEUASPLYSGLULEULYS
15   ALALYSGLYLYSSERALALEUMETPHEASN
16   LEUGLNGLUPROTYRPHETHRTRPPROLEU
17   ILEALAALAASPGLYGLYTYRALAPHELYS
18   TYRGLUASNGLYLYSTYRASPILELYSASP
19   VALGLYVALASPASNALAGLYALALYSALA
20   GLYLEUTHRPHELEUVALASPLEUILELYS
21   ASNLYSHISMETASNALAASPTHRASPTYR
22   SERILEALAGLUALAALAPHEASNLYSGLY
23   GLUTHRALAMETTHRILEASNGLYPROTRP
24   ALATRPSERASNILEASPTHRSERLYSVAL
25   ASNTYRGLYVALTHRVALLEUPROTHRPHE
26   LYSGLYGLNPROSERLYSPROPHEVALGLY
27   VALLEUSERALAGLYILEASNALAALASER
28   PROASNLYSGLULEUALALYSGLUPHELEU
29   GLUASNTYRLEULEUTHRASPGLUGLYLEU
30   GLUALAVALASNLYSASPLYSPROLEUGLY
31   ALAVALALALEULYSSERTYRGLUGLUGLU
32   LEUALALYSASPPROARGILEALAALATHR
33   METGLUASNALAGLNLYSGLYGLUILEMET
34   PROASNILEPROGLNMETSERALAPHETRP
35   TYRALAVALARGTHRALAVALILEASNALA
36   ALASERGLYARGGLNTHRVALASPGLUALA
37   LEULYSASPALAGLNTHRARGILETHRLYS

Entity 2, beta-cyclodextrin - C42 H70 O35 - 1134.984 Da.

1   BCD

Samples:

sample_1: E. coli maltose binding protein, [U-15N;U-13C; U-2H;1H-95% Ile HD1, 1H-50% LeuHD1/HD2, 1H-85% Val HG1/HG2], 0.7 – 0.9 mM; BCD 2.0 mM; sodium phosphate buffer 20 mM; EDTA 100 uM; Pefabloc 0.1 mg/mL; pepstatin 1.0 ug/uL; D2O 10%; H2O 90%

sample_conditions_1: pH: 7.2; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCsample_1not availablesample_conditions_1
CT-HNCAsample_1not availablesample_conditions_1
CT-HN(CO)CAsample_1not availablesample_conditions_1
CT-HN(CA)CBsample_1not availablesample_conditions_1
CT-HN(COCA)CBsample_1not availablesample_conditions_1
HNCOsample_1not availablesample_conditions_1
CT-1H-13C HSQCsample_1not availablesample_conditions_1
(H)C(CO)NH-TOCSYsample_1not availablesample_conditions_1
H(CCO)NH-TOCSYsample_1not availablesample_conditions_1
(H)C(CA)NH-TOCSYsample_1not availablesample_conditions_1
(HM)CMC(CM)HMsample_1not availablesample_conditions_1

Software:

NMRView v3 - peak picking, partially automated backbone and sidechain assignments, Used in conjunction with some in-house Tcl scripts for sidechain assignments

NMRPipe - data processing

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 25237
PDB
DBJ BAB38440 BAE78036 BAG79849 BAI28296 BAI33473
EMBL CAP78494 CAQ34383 CAR01012 CAR05669 CAR10711
GB AAB59056 AAB86559 AAB87675 AAC43128 AAC77004
REF NP_313044 NP_418458 NP_709885 WP_000367925 WP_000695369
SP P0AEX9 P0AEY0