BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 50206

Title: Backbone chemical shift assignments of the KIX:MLLMyb complex

Deposition date: 2020-02-26 Original release date: 2020-02-26

Authors: Langelaan, David; Brown, Alex; Smith, Steven

Citation: Langelaan, David; Lochhead, Marina; Brown, Alex; Lebrun, David; Smith, Steven. "Development of a high-affinity designer peptide to probe CBP/p300 transcriptional activation in health and disease"  Not known ., .-..

Assembly members:
entity_1, polymer, 88 residues, Formula weight is not available
entity_2, polymer, 58 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):
entity_1: MGVRKGWHEHVTQDLRSHLV HKLVQAIFPTPDPAALKDRR MENLVAYAKKVEGDMYESAN SRDEYYHLLAEKIYKIQKEL EEKRRSRL
entity_2: GSSDDGNILPSDIMDFVLKN TPSMQALGESPESKEKRIKE LELLLMSTENELKGQQAL

Data sets:
Data typeCount
13C chemical shifts408
15N chemical shifts135
1H chemical shifts137

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1KIX1
2MLLMyb2

Entities:

Entity 1, KIX 88 residues - Formula weight is not available

1   METGLYVALARGLYSGLYTRPHISGLUHIS
2   VALTHRGLNASPLEUARGSERHISLEUVAL
3   HISLYSLEUVALGLNALAILEPHEPROTHR
4   PROASPPROALAALALEULYSASPARGARG
5   METGLUASNLEUVALALATYRALALYSLYS
6   VALGLUGLYASPMETTYRGLUSERALAASN
7   SERARGASPGLUTYRTYRHISLEULEUALA
8   GLULYSILETYRLYSILEGLNLYSGLULEU
9   GLUGLULYSARGARGSERARGLEU

Entity 2, MLLMyb 58 residues - Formula weight is not available

1   GLYSERSERASPASPGLYASNILELEUPRO
2   SERASPILEMETASPPHEVALLEULYSASN
3   THRPROSERMETGLNALALEUGLYGLUSER
4   PROGLUSERLYSGLULYSARGILELYSGLU
5   LEUGLULEULEULEUMETSERTHRGLUASN
6   GLULEULYSGLYGLNGLNALALEU

Samples:

sample_1: KIX, [U-99% 13C; U-99% 15N], 0.75 mM; MLLMyb 1 mM; MES 20 mM; D2O, [U-2H], 5%; beta-mercaptoethanol 1 mM

sample_2: KIX 1.2 mM; MLLMyb, [U-99% 13C; U-99% 15N], 1 mM; MES 20 mM; D2O, [U-2H], 5%; beta-mercaptoethanol 1 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HCACOsample_2isotropicsample_conditions_1

Software:

TOPSPIN - collection

CcpNmr Analysis - chemical shift assignment

NMRPipe - processing

VNMRj - collection

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 700 MHz

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