BMRB Entry 18786

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18786

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Title:
Erbin PDZ Domain (S47 Designed Mutant)
Deposition date:
2012-10-12
Original release date:
2013-01-29
Authors:
Smith, Colin; Kelly, Mark; Kortemme, Tanja
Citation:

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).
PubMed: 23159126

Assembly members:

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

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-47

Entity Sequences (FASTA):

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
AlphaFold Q96RT1

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