BMRB Entry 27271

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27271
MolProbity Validation Chart

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

Title:
Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9)
Deposition date:
2017-10-03
Original release date:
2018-10-01
Authors:
Schmidt, Charles; Kuntimaddi, Aravinda; Leach, Benjamin; Bushweller, John
Citation:

Citation: Schmidt, Charles; Achille, Nicholas; Kuntimaddi, Aravinda; Boulton, Adam; Leach, Benjamin; Zeleznik-Le, Nancy; Bushweller, John. "Direct Recruitment of BCoR, but not CBX8, is Required for MLL-AF9 Leukemia"  .

Assembly members:

Assembly members:
AF9, polymer, 70 residues, Formula weight is not available
BCoR, polymer, 34 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 Duet

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AF9: MDKAYLDELVELHRRLMTLR ERHILQQIVNLIEETGHFHI TNTTFDFDLCSLDKTTVRKL QSYLETSGTS
BCoR: GTTNSSSNHLEDPHYSELTN LKVCIELTGLHPKK

Data sets:
Data typeCount
13C chemical shifts448
15N chemical shifts104
1H chemical shifts691

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AF91
2BCoR2

Entities:

Entity 1, AF9 70 residues - Formula weight is not available

1   METASPLYSALATYRLEUASPGLULEUVAL
2   GLULEUHISARGARGLEUMETTHRLEUARG
3   GLUARGHISILELEUGLNGLNILEVALASN
4   LEUILEGLUGLUTHRGLYHISPHEHISILE
5   THRASNTHRTHRPHEASPPHEASPLEUCYS
6   SERLEUASPLYSTHRTHRVALARGLYSLEU
7   GLNSERTYRLEUGLUTHRSERGLYTHRSER

Entity 2, BCoR 34 residues - Formula weight is not available

1   GLYTHRTHRASNSERSERSERASNHISLEU
2   GLUASPPROHISTYRSERGLULEUTHRASN
3   LEULYSVALCYSILEGLULEUTHRGLYLEU
4   HISPROLYSLYS

Samples:

BCoR-AF9: AF9, [U-100% 13C; U-100% 15N], 750 uM; BCoR, [U-100% 13C; U-100% 15N], 750 uM; Bis-Tris 9.3 mM; MES 15.8 mM; DTT 1 mM; D2O, [U-2H], 5%; H2O 95%; NaCl 100 mM

sample_conditions: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCBCoR-AF9isotropicsample_conditions
2D 1H-13C HSQCBCoR-AF9isotropicsample_conditions
3D HNCOBCoR-AF9isotropicsample_conditions
3D HNHABCoR-AF9isotropicsample_conditions
3D HNCACBBCoR-AF9isotropicsample_conditions
3D CBCA(CO)NHBCoR-AF9isotropicsample_conditions
3D HCCH-TOCSYBCoR-AF9isotropicsample_conditions
3D C(CO)NHBCoR-AF9isotropicsample_conditions
3D 1H-13C NOESY aromaticBCoR-AF9isotropicsample_conditions
3D 1H-13C NOESY aliphaticBCoR-AF9isotropicsample_conditions
3D 1H-15N NOESYBCoR-AF9isotropicsample_conditions

Software:

TOPSPIN, Bruker Biospin - collection

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

CcpNmr_Analysis, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

Molmol, Koradi, Billeter and Wuthrich - data analysis

PyMOL, Schr dinger - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

NCBI P42568 Q6W2J9

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