BMRB Entry 27271

Name: Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9)
Published: 2018-10-01

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PDB ID: 6b7g
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27271
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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: 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" Not known ., .-..

Assembly members:
AF9, polymer, 70 residues, Formula weight is not available
BCoR, polymer, 34 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):
AF9: MDKAYLDELVELHRRLMTLR ERHILQQIVNLIEETGHFHI TNTTFDFDLCSLDKTTVRKL QSYLETSGTS
BCoR: GTTNSSSNHLEDPHYSELTN LKVCIELTGLHPKK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2

Data type	Count
13C chemical shifts	448
15N chemical shifts	104
1H chemical shifts	691

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AF9	1
2	BCoR	2

Entities:

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

1	MET	ASP	LYS	ALA	TYR	LEU	ASP	GLU	LEU	VAL
2	GLU	LEU	HIS	ARG	ARG	LEU	MET	THR	LEU	ARG
3	GLU	ARG	HIS	ILE	LEU	GLN	GLN	ILE	VAL	ASN
4	LEU	ILE	GLU	GLU	THR	GLY	HIS	PHE	HIS	ILE
5	THR	ASN	THR	THR	PHE	ASP	PHE	ASP	LEU	CYS
6	SER	LEU	ASP	LYS	THR	THR	VAL	ARG	LYS	LEU
7	GLN	SER	TYR	LEU	GLU	THR	SER	GLY	THR	SER

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

1

GLY

THR

ASN

SER

ASN

HIS

LEU

2

GLU

ASP

PRO

HIS

TYR

SER

GLU

LEU

THR

ASN

3

LEU

LYS

VAL

CYS

ILE

GLU

LEU

THR

GLY

LEU

4

HIS

PRO

LYS

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	BCoR-AF9	isotropic	sample_conditions
2D 1H-13C HSQC	BCoR-AF9	isotropic	sample_conditions
3D HNCO	BCoR-AF9	isotropic	sample_conditions
3D HNHA	BCoR-AF9	isotropic	sample_conditions
3D HNCACB	BCoR-AF9	isotropic	sample_conditions
3D CBCA(CO)NH	BCoR-AF9	isotropic	sample_conditions
3D HCCH-TOCSY	BCoR-AF9	isotropic	sample_conditions
3D C(CO)NH	BCoR-AF9	isotropic	sample_conditions
3D 1H-13C NOESY aromatic	BCoR-AF9	isotropic	sample_conditions
3D 1H-13C NOESY aliphatic	BCoR-AF9	isotropic	sample_conditions
3D 1H-15N NOESY	BCoR-AF9	isotropic	sample_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

Biological Magnetic Resonance Data Bank