BMRB Entry 51105

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51105

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Title:
Ybt Cy1 D391N
Deposition date:
2021-09-27
Original release date:
2022-07-08
Authors:
Marincin, Kenneth; Mishra, Subrata; Frueh, Dominique
Citation:

Citation: Mishra, Subrata; Kancherla, Aswani; Marincin, Kenneth; Bouvignies, Guillaume; Nerli, Santrupti; Sgourakis, Nikolaos; Dowling, Daniel; Frueh, Dominique. "Global protein dynamics as communication sensors in peptide synthetase domains"  Sci. Adv. 8, eabn6549-eabn6549 (2022).
PubMed: 35857508

Assembly members:

Assembly members:
entity_1, polymer, 453 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Yersinia pestis   Taxonomy ID: 632   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Yersinia pestis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET30a_Cy1H6_D391N

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MPDESSWPNMTESTPFPLTP VQHAYLTGRMPGQTLGGVGC HLYQEFEGHCLTASQLEQAI TTLLQRHPMLHIAFRPDGQQ VWLPQPYWNGVTVHDLRHND AESRQAYLDALRQRLSHRLL RVEIGETFDFQLTLLPDNRH RLHVNIDLLIMDASSFTLFF DELNALLAGESLPAIDTRYD FRSYLLHQQKINQPLRDDAR AYWLAKASTLPPAPVLPLAC EPATLREVRNTRRRMIVPAT RWHAFSNRAGEYGVTPTMAL ATCFSAVLARWGGLTRLLLN ITLFDRQPLHPAVGAMLADF TNILLLDTACDGDTVSNLAR KNQLTFTEDWEHRHWSGVEL LRELKRQQRYPHGAPVVFTS NLGRSLYSSRAESPLGEPEW GISQTPQVWINHLAFEHHGE VWLQWDSNDALFPPALVETL FDAYCQLINQLCDDESAWQK PFADMLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts709
15N chemical shifts356
1H chemical shifts356

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Cy1 D391N1

Entities:

Entity 1, Cy1 D391N 453 residues - Formula weight is not available

1   METPROASPGLUSERSERTRPPROASNMET
2   THRGLUSERTHRPROPHEPROLEUTHRPRO
3   VALGLNHISALATYRLEUTHRGLYARGMET
4   PROGLYGLNTHRLEUGLYGLYVALGLYCYS
5   HISLEUTYRGLNGLUPHEGLUGLYHISCYS
6   LEUTHRALASERGLNLEUGLUGLNALAILE
7   THRTHRLEULEUGLNARGHISPROMETLEU
8   HISILEALAPHEARGPROASPGLYGLNGLN
9   VALTRPLEUPROGLNPROTYRTRPASNGLY
10   VALTHRVALHISASPLEUARGHISASNASP
11   ALAGLUSERARGGLNALATYRLEUASPALA
12   LEUARGGLNARGLEUSERHISARGLEULEU
13   ARGVALGLUILEGLYGLUTHRPHEASPPHE
14   GLNLEUTHRLEULEUPROASPASNARGHIS
15   ARGLEUHISVALASNILEASPLEULEUILE
16   METASPALASERSERPHETHRLEUPHEPHE
17   ASPGLULEUASNALALEULEUALAGLYGLU
18   SERLEUPROALAILEASPTHRARGTYRASP
19   PHEARGSERTYRLEULEUHISGLNGLNLYS
20   ILEASNGLNPROLEUARGASPASPALAARG
21   ALATYRTRPLEUALALYSALASERTHRLEU
22   PROPROALAPROVALLEUPROLEUALACYS
23   GLUPROALATHRLEUARGGLUVALARGASN
24   THRARGARGARGMETILEVALPROALATHR
25   ARGTRPHISALAPHESERASNARGALAGLY
26   GLUTYRGLYVALTHRPROTHRMETALALEU
27   ALATHRCYSPHESERALAVALLEUALAARG
28   TRPGLYGLYLEUTHRARGLEULEULEUASN
29   ILETHRLEUPHEASPARGGLNPROLEUHIS
30   PROALAVALGLYALAMETLEUALAASPPHE
31   THRASNILELEULEULEUASPTHRALACYS
32   ASPGLYASPTHRVALSERASNLEUALAARG
33   LYSASNGLNLEUTHRPHETHRGLUASPTRP
34   GLUHISARGHISTRPSERGLYVALGLULEU
35   LEUARGGLULEULYSARGGLNGLNARGTYR
36   PROHISGLYALAPROVALVALPHETHRSER
37   ASNLEUGLYARGSERLEUTYRSERSERARG
38   ALAGLUSERPROLEUGLYGLUPROGLUTRP
39   GLYILESERGLNTHRPROGLNVALTRPILE
40   ASNHISLEUALAPHEGLUHISHISGLYGLU
41   VALTRPLEUGLNTRPASPSERASNASPALA
42   LEUPHEPROPROALALEUVALGLUTHRLEU
43   PHEASPALATYRCYSGLNLEUILEASNGLN
44   LEUCYSASPASPGLUSERALATRPGLNLYS
45   PROPHEALAASPMETLEUGLUHISHISHIS
46   HISHISHIS

Samples:

sample_1: Ybt Cy1 D391N, [U-13C; U-15N; U-2H], 796 uM; Sodium Phosphate 20 mM; NaCl 10 mM; EDTA 1 mM; DTT 5 mM

sample_conditions_1: pH: 7; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1

Software:

CARA v1.9.1.4 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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