BMRB Entry 25171

Name: Solution structure of MLL-IBD complex
Published: 2014-12-01

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PDB ID: 2mtn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25171
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of MLL-IBD complex PubMed: 25305204

Deposition date: 2016-09-28 Original release date: 2014-12-01

Authors: Cierpicki, Tomasz; Pollock, Jonathan; Murai, Marcelo

Citation: Cierpicki, Tomasz; Pollock, Jonathan; Murai, Marcelo. "The same site on LEDGF IBD domain represents therapeutic target for MLL leukemia and HIV" Blood 124, 3730-3737 (2014).

Assembly members:
entity_1, polymer, 50 residues, Formula weight is not available
entity_2, polymer, 114 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: GPAMAPGFDAALQVSAAIGT NLRRFRAVFGESGGGGGSGE DEQFLGFGSD
entity_2: EEVRVRGSVKKVEKKRETSM DSRLQRIHAEIKNSLKIDNL DVNRCIEALDELASLQVTMQ QAQKHTEMITTLKKIRRFKV SQVIMEKSTMLYNKFKNMFL VGEGDSVITQVLNK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	533
15N chemical shifts	148
1H chemical shifts	744

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

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

1	GLY	PRO	ALA	MET	ALA	PRO	GLY	PHE	ASP	ALA
2	ALA	LEU	GLN	VAL	SER	ALA	ALA	ILE	GLY	THR
3	ASN	LEU	ARG	ARG	PHE	ARG	ALA	VAL	PHE	GLY
4	GLU	SER	GLY	GLY	GLY	GLY	GLY	SER	GLY	GLU
5	ASP	GLU	GLN	PHE	LEU	GLY	PHE	GLY	SER	ASP

Biological Magnetic Resonance Data Bank

BMRB Entry 25171

Title: Solution structure of MLL-IBD complex PubMed: 25305204

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	PRO	ALA	MET	ALA	PRO	GLY	PHE	ASP	ALA
2	ALA	LEU	GLN	VAL	SER	ALA	ALA	ILE	GLY	THR
3	ASN	LEU	ARG	ARG	PHE	ARG	ALA	VAL	PHE	GLY
4	GLU	SER	GLY	GLY	GLY	GLY	GLY	SER	GLY	GLU
5	ASP	GLU	GLN	PHE	LEU	GLY	PHE	GLY	SER	ASP

1	GLY	PRO	ALA	MET	ALA	PRO	GLY	PHE	ASP	ALA
2	ALA	LEU	GLN	VAL	SER	ALA	ALA	ILE	GLY	THR
3	ASN	LEU	ARG	ARG	PHE	ARG	ALA	VAL	PHE	GLY
4	GLU	SER	GLY	GLY	GLY	GLY	GLY	SER	GLY	GLU
5	ASP	GLU	GLN	PHE	LEU	GLY	PHE	GLY	SER	ASP

1	GLY	PRO	ALA	MET	ALA	PRO	GLY	PHE	ASP	ALA
2	ALA	LEU	GLN	VAL	SER	ALA	ALA	ILE	GLY	THR
3	ASN	LEU	ARG	ARG	PHE	ARG	ALA	VAL	PHE	GLY
4	GLU	SER	GLY	GLY	GLY	GLY	GLY	SER	GLY	GLU
5	ASP	GLU	GLN	PHE	LEU	GLY	PHE	GLY	SER	ASP