BMRB Entry 19516

Name: Solution NMR structure of Dot1L in complex with AF9 (Dot1L-AF9).
Published: 2015-04-20

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PDB ID: 2mv7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19516
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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 Dot1L in complex with AF9 (Dot1L-AF9).

Deposition date:

2013-09-20

Original release date:

2015-04-20

Authors:

Kuntimaddi, Aravinda; Bushweller, John

Citation:

Citation: Kuntimaddi, Aravinda; Bushweller, John. "Solution NMR structure of Dot1L in complex with AF9 (Dot1L-AF9)." .

Assembly members:

Assembly members:
Protein_AF-9, polymer, 69 residues, 8147.291 Da.
Dot1L_Histone-lysine_N-methyltransferase, polymer, 25 residues, 2667.140 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: pETduet-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Protein_AF-9: DKAYLDELVELHRRLMTLRE RHILQQIVNLIEETGHFHIT NTTFDFDLCSLDKTTVRKLQ SYLETSGTS
Dot1L_Histone-lysine_N-methyltransferase: TNKLPVSIPLASVVLPSRAE RARST

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	414
15N chemical shifts	89
1H chemical shifts	638

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AF9 protein	1
2	Dot1L Histone lysine N-methyltransferase	2

Entities:

Entity 1, AF9 protein 69 residues - 8147.291 Da.

1

ASP

LYS

ALA

TYR

LEU

ASP

GLU

LEU

VAL

GLU

2

LEU

HIS

ARG

LEU

MET

THR

LEU

ARG

GLU

3

ARG

HIS

ILE

LEU

GLN

ILE

VAL

ASN

LEU

4

ILE

GLU

THR

GLY

HIS

PHE

HIS

ILE

THR

5

ASN

THR

PHE

ASP

PHE

ASP

LEU

CYS

SER

6

LEU

ASP

LYS

THR

VAL

ARG

LYS

LEU

GLN

7

SER

TYR

LEU

GLU

THR

SER

GLY

THR

SER

Entity 2, Dot1L Histone lysine N-methyltransferase 25 residues - 2667.140 Da.

1

THR

ASN

LYS

LEU

PRO

VAL

SER

ILE

PRO

LEU

2

ALA

SER

VAL

LEU

PRO

SER

ARG

ALA

GLU

3

ARG

ALA

ARG

SER

THR

Samples:

Dot1L-AF9: Protein AF-9, [U-100% 13C; U-100% 15N], 750 uM; Histone-lysine N-methyltransferase, H3 lysine-79 specific, [U-100% 13C; U-100% 15N], 750 uM; Bis-Tris 9.3 mM; MES 15.8 mM; sodium chloride 100 mM; DTT 1 mM; D2O 10%; H2O 95%

Dot1L-AF9_RDC_sample_1: Protein AF-9, [U-100% 13C; U-100% 15N], 750 uM; Histone-lysine N-methyltransferase, H3 lysine-79 specific, [U-100% 13C; U-100% 15N], 750 uM; Bis-Tris 9.3 mM; MES 15.8 mM; sodium chloride 100 mM; DTT 1 mM; D2O 10%; H2O 95%; (3-acrylamidopropyl)-trimethylammonium chloride 3.5%; acrylic acid 3.5%

Dot1L-AF9_RDC_sample_2: Protein AF-9, [U-100% 13C; U-100% 15N], 750 uM; Histone-lysine N-methyltransferase, H3 lysine-79 specific, [U-100% 13C; U-100% 15N], 750 uM; Bis-Tris 9.3 mM; MES 15.8 mM; sodium chloride 100 mM; DTT 1 mM; D2O 10%; H2O 95%; (3-acrylamidopropyl)-trimethylammonium chloride 3.5%; acrylamide 3.5%

Dot1L-AF9_NMR_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	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
2D 1H-15N HSQC	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
2D 1H-13C HSQC	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D CBCA(CO)NH	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D C(CO)NH	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HNCO	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HNCA	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HNCACB	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HCCH-TOCSY	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HNHA	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D 1H-15N NOESY	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D 1H-13C NOESY aliphatic	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D 1H-13C NOESY aromatic	Dot1L-AF9	isotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HNCO IPAP	Dot1L-AF9_RDC_sample_1	anisotropic	Dot1L-AF9_NMR_Sample_Conditions
3D HNCO IPAP	Dot1L-AF9_RDC_sample_2	anisotropic	Dot1L-AF9_NMR_Sample_Conditions

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

SPARKY, Goddard - peak picking

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

TOPSPIN, Bruker Biospin - collection

X-PLOR NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

Molmol, Koradi, Billeter and Wuthrich - data analysis

VNMRJ, Varian - collection

NMR spectrometers:

Bruker Avance 600 MHz
Varian INOVA 600 MHz

BMRB	18094
PDB	2LM0 2MV7
DBJ	BAA04090 BAB31731 BAE27603 BAG35760 BAG72836
EMBL	CAA06960 CDQ62412 CDQ68675
GB	AAA58361 AAH21420 AAH36089 AAI29090 AAK28536
REF	NP_001179478 NP_001273087 NP_001273620 NP_004520 NP_081602
SP	A2AM29 P42568
TPG	DAA26970
AlphaFold	A2AM29 P42568 Q96JL1