BMRB Entry 31283

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31283
MolProbity Validation Chart

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Title:
Ligand-free solution (NMR) structure of the Mena EVH1 domain
Deposition date:
2025-11-18
Original release date:
2026-08-14
Authors:
LaComb, L.; Ghosh, A.; Bonanno, J.; Almo, S.; Cahill, S.; Cowburn, D.
Citation:

Citation: LaComb, L.; Ghosh, A.; Bonanno, J.; Almo, S.; Cahill, S.; Cowburn, D.. "Ligand-free solution (NMR) structure of the Mena EVH1 domain "  .

Assembly members:

Assembly members:
entity_1, polymer, 115 residues, 12829.454 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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSMSEQSICQARAAVMVYDD ANKKWVPAGGSTGFSRVHIY HHTGNNTFRVVGRKIQDHQV VINCAIPKGLKYNQATQTFH QWRDARQVYGLNFGSKEDAN VFASAMMHALEVLNS

Data sets:
Data typeCount
13C chemical shifts506
15N chemical shifts137
1H chemical shifts809

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 115 residues - 12829.454 Da.

1   GLYSERMETSERGLUGLNSERILECYSGLN
2   ALAARGALAALAVALMETVALTYRASPASP
3   ALAASNLYSLYSTRPVALPROALAGLYGLY
4   SERTHRGLYPHESERARGVALHISILETYR
5   HISHISTHRGLYASNASNTHRPHEARGVAL
6   VALGLYARGLYSILEGLNASPHISGLNVAL
7   VALILEASNCYSALAILEPROLYSGLYLEU
8   LYSTYRASNGLNALATHRGLNTHRPHEHIS
9   GLNTRPARGASPALAARGGLNVALTYRGLY
10   LEUASNPHEGLYSERLYSGLUASPALAASN
11   VALPHEALASERALAMETMETHISALALEU
12   GLUVALLEUASNSER

Samples:

sample_1: EVH1 domain of Mena, [U-100% 13C; U-100% 15N], 0.25 mM; PIPES 50 mM; NaCl 150 mM; beta-mercaptoethanol 10 mM; EDTA 1 mM; TSP 0.1 mM; NaN3 0.02%

sample_2: EVH1 domain of Mena, [U-100% 15N], 0.3 mM; PIPES 50 mM; NaCl 150 mM; beta-mercaptoethanol 10 mM; EDTA 1 mM; TSP 0.1 mM; NaN3 0.02%

sample_3: EVH1 domain of Mena, [U-100% 13C; U-100% 15N], 1 mM; PIPES 50 mM; NaCl 150 mM; beta-mercaptoethanol 10 mM; EDTA 1 mM; TSP 0.1 mM; NaN3 0.02%

sample_conditions_1: ionic strength: 150 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_3isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D HN(CO)CAsample_3isotropicsample_conditions_1
3D HN(CA)COsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HN(COCA)CBsample_3isotropicsample_conditions_1
3D HNHAsample_3isotropicsample_conditions_1
3D H(CCCO)NH-TOCSYsample_3isotropicsample_conditions_1
3D (H)CC(CO)NH-TOSCYsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D HCCH-COSYsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

TopSpin v3.6, Bruker Biospin - processing

NMRPipe v11.5 Rev 2023.105.21.31, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNmr Analysis v3.3.2.1, CCPN - data analysis

ARTINA, Klukowski, P., Riek, R. and Guntert, P. - chemical shift assignment, peak picking, structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz
  • Bruker AVANCE III HD 800 MHz
  • Bruker AVANCE NEO 900 MHz

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