BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 16971

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16971
MolProbity Validation Chart

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Title: backbone and sidechain 1H, 13C, and 15N assignments for F-plasmid TraI 381-569   PubMed: 20936510

Deposition date: 2010-06-02 Original release date: 2011-01-06

Authors: Wright, Nathan; Majumdar, Ananya; Schildbach, Joel

Citation: Wright, Nathan; Majumdar, Ananya; Schildbach, Joel. "Chemical shift assignments for F-plasmid TraI (381-569)."  Biomol. NMR Assignments 5, 67-70 (2011).

Assembly members:
TraI_(381-569), polymer, 189 residues, 20000 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):
TraI_(381-569): TSGIHVLDELSVRALSRDIM KQNRVTVHPEKSVPRTAGYS DAVSVLAQDRPSLAIVSGQG GAAGQRERVAELVMMAREQG REVQIIAADRRSQMNMKQDE RLSGELITGRRQLLEGMAFT PGSTVIVDQGEKLSLKETLT LLDGAARHNVQVLITDSGQR TGTGSALMAMKDAGVNTYRW QGGEQRPAT

Data sets:
Data typeCount
13C chemical shifts655
15N chemical shifts179
1H chemical shifts1165

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1TraI 381-5691

Entities:

Entity 1, TraI 381-569 189 residues - 20000 Da.

1   THRSERGLYILEHISVALLEUASPGLULEU
2   SERVALARGALALEUSERARGASPILEMET
3   LYSGLNASNARGVALTHRVALHISPROGLU
4   LYSSERVALPROARGTHRALAGLYTYRSER
5   ASPALAVALSERVALLEUALAGLNASPARG
6   PROSERLEUALAILEVALSERGLYGLNGLY
7   GLYALAALAGLYGLNARGGLUARGVALALA
8   GLULEUVALMETMETALAARGGLUGLNGLY
9   ARGGLUVALGLNILEILEALAALAASPARG
10   ARGSERGLNMETASNMETLYSGLNASPGLU
11   ARGLEUSERGLYGLULEUILETHRGLYARG
12   ARGGLNLEULEUGLUGLYMETALAPHETHR
13   PROGLYSERTHRVALILEVALASPGLNGLY
14   GLULYSLEUSERLEULYSGLUTHRLEUTHR
15   LEULEUASPGLYALAALAARGHISASNVAL
16   GLNVALLEUILETHRASPSERGLYGLNARG
17   THRGLYTHRGLYSERALALEUMETALAMET
18   LYSASPALAGLYVALASNTHRTYRARGTRP
19   GLNGLYGLYGLUGLNARGPROALATHR

Samples:

sample_1: TraI (381-569), [U-100% 13C; U-100% 15N], 300 – 600 uM; D2O 10%; H2O 90%; TRIS 20 mM; sodium chloride 25 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.2; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
DBJ BAA78885 BAA97974 BAI28866 BAI33972 BAI39380
EMBL CAP07735 CAQ87159 CAQ87444 CAS07478 CBG27820
GB AAA98085 AAC44186 AAK18571 AAK62053 AAL72528
REF NP_052981 NP_061483 NP_085415 NP_858381 NP_862951
SP P14565

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