BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18786

Title: Erbin PDZ Domain (S47 Designed Mutant)   PubMed: 23159126

Deposition date: 2012-10-12 Original release date: 2013-01-29

Authors: Smith, Colin; Kelly, Mark; Kortemme, Tanja

Citation: Smith, Colin; Shi, Catherine; Chroust, Matthew; Bliska, Thomas; Kelly, Mark; Jacobson, Matthew; Kortemme, Tanja. "Design of a phosphorylatable PDZ domain with Peptide-specific affinity changes."  Structure 21, 54-64 (2013).

Assembly members:
Erbin_PDZ_S47, polymer, 120 residues, Formula weight is not available

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Erbin_PDZ_S47: AHHHHHHSAALEVLFQGPGS EFHELAKQEIRVRVEKDPEL GFSISGGVGGRGNPFRPDDD GIFVTRVQRRGSASKLLQPG DKIIQANGYSFINIEHGQAV SLLKTFQNTVELIIVREVSS

Data sets:
Data typeCount
13C chemical shifts216
15N chemical shifts111
1H chemical shifts111

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Erbin_PDZ_S471

Entities:

Entity 1, Erbin_PDZ_S47 120 residues - Formula weight is not available

1   ALAHISHISHISHISHISHISSERALAALA
2   LEUGLUVALLEUPHEGLNGLYPROGLYSER
3   GLUPHEHISGLULEUALALYSGLNGLUILE
4   ARGVALARGVALGLULYSASPPROGLULEU
5   GLYPHESERILESERGLYGLYVALGLYGLY
6   ARGGLYASNPROPHEARGPROASPASPASP
7   GLYILEPHEVALTHRARGVALGLNARGARG
8   GLYSERALASERLYSLEULEUGLNPROGLY
9   ASPLYSILEILEGLNALAASNGLYTYRSER
10   PHEILEASNILEGLUHISGLYGLNALAVAL
11   SERLEULEULYSTHRPHEGLNASNTHRVAL
12   GLULEUILEILEVALARGGLUVALSERSER

Samples:

sample_1: Erbin PDZ S47, [U-100% 13C; U-100% 15N], 0.6 ± 0.3 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 300.7 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNMR, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker DRX 500 MHz

Related Database Links:

BMRB 18785
PDB
DBJ BAA86539 BAG10002 BAG58554
GB AAF77048 AAI15016 AAI26465 AAI44076 AAK69431
REF NP_001240626 NP_001240628 NP_001240630 NP_061165 XP_001088781
SP Q96RT1

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts