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 19558

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19558
MolProbity Validation Chart

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Title: Backbone and stereospecific Methyl Ile(d1), Leu and Val chemical shift assignment of Crc   PubMed: 24496608

Deposition date: 2013-10-15 Original release date: 2014-02-12

Authors: Sharma, Rakhi; Ray, Malay Kumar; Deshmukh, Mandar

Citation: Sharma, Rakhi; Sahu, Bhubanananda; Ray, Malay; Deshmukh, Mandar. "Backbone and stereospecific (13)C methyl Ile (1), Leu and Val side-chain chemical shift assignments of Crc."  Biomol. NMR Assignments ., .-. (2014).

Assembly members:
Crc, polymer, 265 residues, 30721.6 Da.

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 317   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas syringae

Experimental source:   Production method: recombinant technology   Host organism: Pseudomonas syringae

Entity Sequences (FASTA):
Crc: MRIISVNVNGIQTAVERGLL SWLQAQNADVICLQDTRASA FELDDPAYQLDGYFLYACEA EVPAQGGVALYSRLQPKAVI TGLGFETADRYGRYLQADFD KVSIATLLLPSGQNGDEDLN QKFKLMDDFARYLDKQRRKR REYIYCGSLYVAQQKLDIKN WRDSQQSPGFLAPERAWMDE IVGNMGYVDALREVSREGDQ YSWWPDNEQAEMLNLGWRFD YQLLTPGLRRFVRSARLPRQ PRFSQHAPLIVDYDWTLTIH HHHHH

Data sets:
Data typeCount
13C chemical shifts827
15N chemical shifts235
1H chemical shifts484

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Crc_11
2Crc_21
3Crc_31
4Crc_41

Entities:

Entity 1, Crc_1 265 residues - 30721.6 Da.

1   METARGILEILESERVALASNVALASNGLY
2   ILEGLNTHRALAVALGLUARGGLYLEULEU
3   SERTRPLEUGLNALAGLNASNALAASPVAL
4   ILECYSLEUGLNASPTHRARGALASERALA
5   PHEGLULEUASPASPPROALATYRGLNLEU
6   ASPGLYTYRPHELEUTYRALACYSGLUALA
7   GLUVALPROALAGLNGLYGLYVALALALEU
8   TYRSERARGLEUGLNPROLYSALAVALILE
9   THRGLYLEUGLYPHEGLUTHRALAASPARG
10   TYRGLYARGTYRLEUGLNALAASPPHEASP
11   LYSVALSERILEALATHRLEULEULEUPRO
12   SERGLYGLNASNGLYASPGLUASPLEUASN
13   GLNLYSPHELYSLEUMETASPASPPHEALA
14   ARGTYRLEUASPLYSGLNARGARGLYSARG
15   ARGGLUTYRILETYRCYSGLYSERLEUTYR
16   VALALAGLNGLNLYSLEUASPILELYSASN
17   TRPARGASPSERGLNGLNSERPROGLYPHE
18   LEUALAPROGLUARGALATRPMETASPGLU
19   ILEVALGLYASNMETGLYTYRVALASPALA
20   LEUARGGLUVALSERARGGLUGLYASPGLN
21   TYRSERTRPTRPPROASPASNGLUGLNALA
22   GLUMETLEUASNLEUGLYTRPARGPHEASP
23   TYRGLNLEULEUTHRPROGLYLEUARGARG
24   PHEVALARGSERALAARGLEUPROARGGLN
25   PROARGPHESERGLNHISALAPROLEUILE
26   VALASPTYRASPTRPTHRLEUTHRILEHIS
27   HISHISHISHISHIS

Samples:

sample_1: Crc, [U-100% 13C; U-100% 15N; U-80% 2H], 350 – 600 uM; H2O 90%; D2O, [U-100% 2H], 10%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_2: Crc350 – 600 uM; D2O, [U-100% 2H], 100%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_3: Crc, [U-100% 15N], 350 – 600 uM; H2O 90%; D2O, [U-100% 2H], 10%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_4: Crc, [U-10% 13C], 350 – 600 uM; H2O 90%; D2O, [U-100% 2H], 10%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_5: Crc, [U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H], 350 – 600 uM; H2O 90%; D2O, [U-100% 2H], 10%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_6: Crc, [U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H], 350 – 600 uM; D2O, [U-100% 2H], 100%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_7: Crc, [U-13C, 1H Ile, Leu, Val; U-100% 15N; U-100% 2H], 350 – 600 uM; H2O 90%; D2O, [U-100% 2H], 10%; Potassium phosphate buffer 50 mM; Na2SO4 100 mM; NaCl 50 mM; Proline 10 mM; Arginine 25 mM; Glutamate 25 mM; DTT 5 mM

sample_conditions_1: ionic strength: 265 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_5isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1
3D TROSY-HNCAsample_1isotropicsample_conditions_1
3D TROSY-HN(CA)CBsample_1isotropicsample_conditions_1
3D TROSY-HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY-HN(COCA)CBsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
3D-1H(15N) HMQC NOESY-1H-15N FHSQCsample_1isotropicsample_conditions_1
3D H(CCCO)NHsample_7isotropicsample_conditions_1
3D (H)C(CCO)NHsample_7isotropicsample_conditions_1
15N-edited 3D NOESY HSQCsample_3isotropicsample_conditions_1
13C-edited 3D NOESY-HSQCsample_6isotropicsample_conditions_1
3D-(1H) 13C HMQC NOESY-15N FHSQCsample_5isotropicsample_conditions_1
3D-1H (13C) HMQC-NOESY-15N FHSQCsample_5isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1
3D TROSY-HN(CA)COsample_1isotropicsample_conditions_1

Software:

CARA vcara 1.8.6, Keller and Wuthrich - chemical shift assignment, peak picking

TOPSPIN v2.1, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

DBJ BAO65357 BAP42285 BAQ77708 BAQ83908
EMBL CAY53517 CDF96299 CEL32310
GB AAT80896 AAY95245 ABA77282 AEA72053 AEV65739
REF WP_003176915 WP_003177265 WP_003195493 WP_003229491 WP_003437806

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