BMRB Entry 19685

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19685
MolProbity Validation Chart

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Title:
RRM3 intermediate state
Deposition date:
2013-12-14
Original release date:
2014-12-15
Authors:
Bhatt, Harshesh; Kaushik, Abhinav; Gupta, Dinesh; Bhavesh, Neel Sarovar
Citation:

Citation: Bhatt, Harshesh; Kaushik, Abhinav; Gupta, Dinesh; Bhavesh, Neel Sarovar. "RRM3 intermediate state"  .

Assembly members:

Assembly members:
entity, polymer, 97 residues, 10930.638 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GSHMQKEGPEGANLFIYHLP QEFGDQDILQMFMPFGNVIS AKVFIDKQTNLSKCFGFVSY DNPVSAQAAIQAMNGFQIGM KRLKVQLKRSKNDSKPY

Data sets:
Data typeCount
13C chemical shifts396
15N chemical shifts107
1H chemical shifts560

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1RRM3 intermediate state1

Entities:

Entity 1, RRM3 intermediate state 97 residues - 10930.638 Da.

1   GLYSERHISMETGLNLYSGLUGLYPROGLU
2   GLYALAASNLEUPHEILETYRHISLEUPRO
3   GLNGLUPHEGLYASPGLNASPILELEUGLN
4   METPHEMETPROPHEGLYASNVALILESER
5   ALALYSVALPHEILEASPLYSGLNTHRASN
6   LEUSERLYSCYSPHEGLYPHEVALSERTYR
7   ASPASNPROVALSERALAGLNALAALAILE
8   GLNALAMETASNGLYPHEGLNILEGLYMET
9   LYSARGLEULYSVALGLNLEULYSARGSER
10   LYSASNASPSERLYSPROTYR

Samples:

sample_1: RRM3 intermediate state, [U-99% 13C; U-99% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%; sodium chloride 50 mM; sodium phosphate 20 mM; urea 6 M

sample_2: RRM3 intermediate state, [U-99% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%; sodium chloride 50 mM; sodium phosphate 20 mM; urea 6 M

sample_conditions_1: ionic strength: 0.02 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift calculation, structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 700 MHz

Related Database Links:

BMRB 16884
PDB
DBJ BAE36341 BAG58428 BAG59778 BAG63913
EMBL CAF96701 CDQ91280
GB AAF89096 AAH45035 AAI36077 AAP57761 AAP57762
REF NP_001079593 NP_001096417 NP_001279263 XP_004574118 XP_004574119
SP A4IIM2 Q7T2T1 Q7ZXE2
AlphaFold A4IIM2 Q7T2T1 Q7ZXE2

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