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 25377

Title: MDMX-P53

Authors: Grace, Christy

Citation: Grace, Christy; Kriwacki, Richard; Ban, David. "Monitoring ligand induced protein ordering in drug discovery"  J. Mol. Biol. ., .-..

Assembly members:
entity_1, polymer, 89 residues, 10160.976 Da.
entity_2, polymer, 15 residues, 1807.993 Da.

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: QINQVRPKLPLLKILHAAGA QGEMFTVKEVMHYLGQYIMV KQLYDQQEQHMVYCGGDLLG ELLGRQSFSVKDPSPLYDML RKNLVTLAT
entity_2: SQETFSDLWKLLPEN

Data sets:
Data typeCount
1H chemical shifts585

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 89 residues - 10160.976 Da.

Residue 1 corresponds to 23 in MDMX

1   GLNILEASNGLNVALARGPROLYSLEUPRO
2   LEULEULYSILELEUHISALAALAGLYALA
3   GLNGLYGLUMETPHETHRVALLYSGLUVAL
4   METHISTYRLEUGLYGLNTYRILEMETVAL
5   LYSGLNLEUTYRASPGLNGLNGLUGLNHIS
6   METVALTYRCYSGLYGLYASPLEULEUGLY
7   GLULEULEUGLYARGGLNSERPHESERVAL
8   LYSASPPROSERPROLEUTYRASPMETLEU
9   ARGLYSASNLEUVALTHRLEUALATHR

Entity 2, entity_2 15 residues - 1807.993 Da.

Peptide is TAD of p53 from 15 to 29

1   SERGLNGLUTHRPHESERASPLEUTRPLYS
2   LEULEUPROGLUASN

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 1.0 mM; entity_2 1.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 200 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links: