BMRB Entry 4184

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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/BMR4184
MolProbity Validation Chart

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Title:
Structure and Asn-Pro-Phe Binding Pocket of the Eps15 Homology Domain
Deposition date:
1998-08-13
Original release date:
2000-01-11
Authors:
De Beer, Tonny; Carter, Royston; Lobel-Rice, Katherine; Sorkin, Alexander; Overduin, Michael
Citation:

Citation: De Beer, Tonny; Carter, Royston; Lobel-Rice, Katherine; Sorkin, Alexander; Overduin, Michael. "Structure and Asn-Pro-Phe Binding Pocket of the Eps15 Homology Domain"  Science 281, 1357-1360 (1998).

Assembly members:

Assembly members:
eps15 homology domain, polymer, 95 residues, 40.078 Da.
CALCIUM ION, non-polymer, 40.078 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
eps15 homology domain: PWAVKPEDKAKYDAIFDSLS PVNGFLSGDKVKPVLLNSKL PVDILGRVWELSDIDHDGML DRDEFAVAMFLVYCALEKEP VPMSLPPALVPPSKR

Data sets:
Data typeCount
13C chemical shifts430
15N chemical shifts91
1H chemical shifts697

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1EH21
2entity_CA2

Entities:

Entity 1, EH2 95 residues - 40.078 Da.

1   PROTRPALAVALLYSPROGLUASPLYSALA
2   LYSTYRASPALAILEPHEASPSERLEUSER
3   PROVALASNGLYPHELEUSERGLYASPLYS
4   VALLYSPROVALLEULEUASNSERLYSLEU
5   PROVALASPILELEUGLYARGVALTRPGLU
6   LEUSERASPILEASPHISASPGLYMETLEU
7   ASPARGASPGLUPHEALAVALALAMETPHE
8   LEUVALTYRCYSALALEUGLULYSGLUPRO
9   VALPROMETSERLEUPROPROALALEUVAL
10   PROPROSERLYSARG

Entity 2, entity_CA - Ca - 40.078 Da.

1   CA

Samples:

sample_one: eps15 homology domain, [U-13C; U-98% 15N], 1.0 – 4.0 mM; Tris 20 mM; KCl 100 mM; CaCl2 2 mM; DTT 2 mM; NaN3 10 uM; APMSF n/a; H2O 1 mM

sample_two: eps15 homology domain, [U-13C; U-98% 15N], 1.0 – 4.0 mM; Tris 20 mM; KCl 100 mM; CaCl2 2 mM; DTT 2 mM; NaN3 10 uM; APMSF n/a; D2O 1 mM

sample_conditions_one: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
15N-filtered TOCSY and NOESYsample_onenot availablesample_conditions_one
15N-1H HSQC-NOESY-HSQCsample_onenot availablesample_conditions_one
1H-15N HMQC-Jsample_onenot availablesample_conditions_one
3D and 4D 13C/15N-filtered NOESY'ssample_onenot availablesample_conditions_one
HNCOsample_onenot availablesample_conditions_one
CCC-TOCSY-NNHsample_onenot availablesample_conditions_one
HCC-TOCSY-NNHsample_onenot availablesample_conditions_one
HBCBCACONNHsample_onenot availablesample_conditions_one
HNCACBsample_onenot availablesample_conditions_one
HCCH-TOCSYsample_onenot availablesample_conditions_one
HBCBCGCDHDsample_onenot availablesample_conditions_one
HBCBCGCDCEHEsample_onenot availablesample_conditions_one

Software:

NMRPipe - data processing

PIPP - generating peak-picked list, which was the basis of the chemical shift tables

X-PLOR v3.84 - structure calculations

InsightII v6.0 - visualization of the structure

ProcheckNMR - structure validation

NMR spectrometers:

  • Varian Inova 500 MHz
  • Varian Inova 600 MHz

Related Database Links:

BMRB 15554
PDB
GB ELK26712
REF XP_004025845

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