BMRB Entry 50033

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50033

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

Title:
CDC25B - W550A
Deposition date:
2019-10-04
Original release date:
2019-10-29
Authors:
Reis, Andre
Citation:

Citation: Reis, Andre; Sayegh, Raphael; Marana, Sandro; Arantes, Guilherme. "Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation-pi contacts in proteins"  J. Chem. Inf. Model. 60, 890-897 (2020).
PubMed: 31738549

Assembly members:

Assembly members:
entity_1, polymer, 218 residues, -4 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   Vector: pET-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MEFQSDHRELIGDYSKAFLL QTVDGKHQDLKYISPETMVA LLTGKFSNIVDKFVIVDCRY PYEYEGGHIKTAVNLPLERD AESFLLKSPIAPCSLDKRVI LIFHCEFSSERGPRMCRFIR ERDRAVNDYPSLYYPEMYIL KGGYKEFFPQHPNFCEPQDY RPMNHEAFKDELKTFRLKTR SAAGERSRRELCSRLQDQ

Data sets:
Data typeCount
15N chemical shifts144
1H chemical shifts144

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CDC25B - W550A1

Entities:

Entity 1, CDC25B - W550A 218 residues - -4 Da.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METGLUPHEGLNSERASPHISARGGLULEU
4   ILEGLYASPTYRSERLYSALAPHELEULEU
5   GLNTHRVALASPGLYLYSHISGLNASPLEU
6   LYSTYRILESERPROGLUTHRMETVALALA
7   LEULEUTHRGLYLYSPHESERASNILEVAL
8   ASPLYSPHEVALILEVALASPCYSARGTYR
9   PROTYRGLUTYRGLUGLYGLYHISILELYS
10   THRALAVALASNLEUPROLEUGLUARGASP
11   ALAGLUSERPHELEULEULYSSERPROILE
12   ALAPROCYSSERLEUASPLYSARGVALILE
13   LEUILEPHEHISCYSGLUPHESERSERGLU
14   ARGGLYPROARGMETCYSARGPHEILEARG
15   GLUARGASPARGALAVALASNASPTYRPRO
16   SERLEUTYRTYRPROGLUMETTYRILELEU
17   LYSGLYGLYTYRLYSGLUPHEPHEPROGLN
18   HISPROASNPHECYSGLUPROGLNASPTYR
19   ARGPROMETASNHISGLUALAPHELYSASP
20   GLULEULYSTHRPHEARGLEULYSTHRARG
21   SERALAALAGLYGLUARGSERARGARGGLU
22   LEUCYSSERARGLEUGLNASPGLN

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