BMRB Entry 19558

Name: Backbone and stereospecific Methyl Ile(d1), Leu and Val chemical shift assignment of Crc
Published: 2014-02-12

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PDB ID: 2myi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19558
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	827
15N chemical shifts	235
1H chemical shifts	484

Additional metadata:

Assembly
Samples and Experiments
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Entity Assembly ID	Entity Name	Entity ID
1	Crc_1	1
2	Crc_2	1
3	Crc_3	1
4	Crc_4	1

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_5	isotropic	sample_conditions_1
3D TROSY-HNCO	sample_1	isotropic	sample_conditions_1
3D TROSY-HNCA	sample_1	isotropic	sample_conditions_1
3D TROSY-HN(CA)CB	sample_1	isotropic	sample_conditions_1
3D TROSY-HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D TROSY-HN(COCA)CB	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
3D-1H(15N) HMQC NOESY-1H-15N FHSQC	sample_1	isotropic	sample_conditions_1
3D H(CCCO)NH	sample_7	isotropic	sample_conditions_1
3D (H)C(CCO)NH	sample_7	isotropic	sample_conditions_1
15N-edited 3D NOESY HSQC	sample_3	isotropic	sample_conditions_1
13C-edited 3D NOESY-HSQC	sample_6	isotropic	sample_conditions_1
3D-(1H) 13C HMQC NOESY-15N FHSQC	sample_5	isotropic	sample_conditions_1
3D-1H (13C) HMQC-NOESY-15N FHSQC	sample_5	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_4	isotropic	sample_conditions_1
3D TROSY-HN(CA)CO	sample_1	isotropic	sample_conditions_1

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

Biological Magnetic Resonance Data Bank

BMRB Entry 19558

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

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