BMRB Entry 25142

Name: Solution structure of Hox homeodomain
Published: 2015-09-14

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PDB ID: 2msy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25142
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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 structure of Hox homeodomain

Deposition date:

2014-08-11

Original release date:

2015-09-14

Authors:

Kim, Hyun-Hwi; Park, Sung Jean; Han, Jung-Hwa; Lee, Bong-Jin

Citation:

Citation: Kim, Hyun-Hwi; Park, Sung Jean; Han, Jung-Hwa; Pathak, Chinar; Cheong, Hae-Kap; Lee, Bong-Jin. "Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding" Biochim. Biophys. Acta 1854, 449-459 (2015).
PubMed: 25707357

Assembly members:

Assembly members:
entity, polymer, 68 residues, 8677.323 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: pET28a (+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ANWIHARSTRKKRCPYTKYQ TLELEKEFLFNMYLTRDRRY EVARVLNLTERQVKIWFQNR RMKMKKMN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	285
15N chemical shifts	71
1H chemical shifts	417

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Hox homeodomain	1

Entities:

Entity 1, Hox homeodomain 68 residues - 8677.323 Da.

1

ALA

ASN

TRP

ILE

HIS

ALA

ARG

SER

THR

ARG

2

LYS

ARG

CYS

PRO

TYR

THR

LYS

TYR

GLN

3

THR

LEU

GLU

LEU

GLU

LYS

GLU

PHE

LEU

PHE

4

ASN

MET

TYR

LEU

THR

ARG

ASP

ARG

TYR

5

GLU

VAL

ALA

ARG

VAL

LEU

ASN

LEU

THR

GLU

6

ARG

GLN

VAL

LYS

ILE

TRP

PHE

GLN

ASN

ARG

7

ARG

MET

LYS

MET

LYS

MET

ASN

Samples:

sample_1: MES, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker DRX 900 MHz
Bruker DRX 800 MHz

BMRB	17407
PDB	2LP0 2MSY
DBJ	BAA86253 BAB28077 BAC37378 BAE22140 BAE26045
EMBL	CAA30487 CAA33528 CAA39026 CAA42016 CAA44542
GB	AAA37856 AAB04756 AAB68680 AAD15960 AAD15961
PIR	C45187 D45187
REF	NP_001017256 NP_001094377 NP_001132998 NP_001133005 NP_001133012
SP	B5DFK3 O42502 P09633 P28356 P28357
TPG	DAA30041 DAA32777
AlphaFold	P28356 B5DFK3 O42502 P09633 P28357