BMRB Entry 34992

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34992
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
Solution NMR structure of N-WASP GBD in complex with EspFu R5
Deposition date:
2025-05-06
Original release date:
2025-10-31
Authors:
Tossavainen, H.; Permi, P.
Citation:

Citation: Tossavainen, H.; Karjalainen, M.; Antenucci, L.; Hellman, M.; Permi, P.. "Intrinsically disordered EPEC EspF exploits motif mimicry in high-affinity binding to N-WASP GBD and SNX9 SH3"  Int. J. Biol. Macromol. 330, 148227-148227 (2025).
PubMed: 41075884

Assembly members:

Assembly members:
entity_1, polymer, 73 residues, 8303.230 Da.
entity_2, polymer, 48 residues, 5301.970 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMSNFQHIGHVGWDPNTG FDLNNLDPELKNLFDMCGIS EAQLKDRETSKVIYDFIEKT GGVEAVKNELRRQ
entity_2: GLPDVAQRLMQHLAEHGIQP ARNMAEHIPPAPNWPAPTPP VQNEQSRP

Data sets:
Data typeCount
13C chemical shifts389
15N chemical shifts108
1H chemical shifts795

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22

Entities:

Entity 1, unit_1 73 residues - 8303.230 Da.

1   GLYSERHISMETSERASNPHEGLNHISILE
2   GLYHISVALGLYTRPASPPROASNTHRGLY
3   PHEASPLEUASNASNLEUASPPROGLULEU
4   LYSASNLEUPHEASPMETCYSGLYILESER
5   GLUALAGLNLEULYSASPARGGLUTHRSER
6   LYSVALILETYRASPPHEILEGLULYSTHR
7   GLYGLYVALGLUALAVALLYSASNGLULEU
8   ARGARGGLN

Entity 2, unit_2 48 residues - 5301.970 Da.

1   GLYLEUPROASPVALALAGLNARGLEUMET
2   GLNHISLEUALAGLUHISGLYILEGLNPRO
3   ALAARGASNMETALAGLUHISILEPROPRO
4   ALAPROASNTRPPROALAPROTHRPROPRO
5   VALGLNASNGLUGLNSERARGPRO

Samples:

sample_1: N-WASP GBD, [U-13C; U-15N], 0.5 mM; EspFu R5 0.6 mM; sodium phosphate 20 mM; sodium chloride 50 mM

sample_2: N-WASP GBD 0.4 mM; EspFu R5, [U-13C; U-15N], 0.3 mM; sodium phosphate 20 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.11 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCmHm-TOCSYsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 15N, 13C filtered 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 15N, 13C filtered 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

CcpNmr Analysis, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE III HD 800 MHz

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