BMRB Entry 11331

Name: Solution structure of the B-box domain of the human Midline-2 protein
Published: 2011-08-19

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PDB ID: 2dja
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11331
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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 the B-box domain of the human Midline-2 protein

Deposition date:

2010-08-10

Original release date:

2011-08-19

Authors:

Miyamoto, K.; Kigawa, T.; Tomizawa, T.; Koshiba, S.; Inoue, M.; Yokoyama, S.

Citation:

Citation: Miyamoto, K.; Kigawa, T.; Tomizawa, T.; Koshiba, S.; Inoue, M.; Yokoyama, S.. "Solution structure of the B-box domain of the human Midline-2 protein" .

Assembly members:

Assembly members:
zf-B box, polymer, 84 residues, Formula weight is not available
ZN, non-polymer, 65.409 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: cell free synthesis Host organism: E. coli - cell free Vector: P050302-80

Entity Sequences (FASTA):

Entity Sequences (FASTA):
zf-B box: GSSGSSGVEPVPDTHLRGIT CLDHENEKVNMYCVSDDQLI CALCKLVGRHRDHQVASLND RFEKLKQTLEMNLTNLVKSG PSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	329
15N chemical shifts	79
1H chemical shifts	534

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	zf-B box	1
2	ZINC ION no.1	2
3	ZINC ION no.2	2

Entities:

Entity 1, zf-B box 84 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

VAL

GLU

PRO

2

VAL

PRO

ASP

THR

HIS

LEU

ARG

GLY

ILE

THR

3

CYS

LEU

ASP

HIS

GLU

ASN

GLU

LYS

VAL

ASN

4

MET

TYR

CYS

VAL

SER

ASP

GLN

LEU

ILE

5

CYS

ALA

LEU

CYS

LYS

LEU

VAL

GLY

ARG

HIS

6

ARG

ASP

HIS

GLN

VAL

ALA

SER

LEU

ASN

ASP

7

ARG

PHE

GLU

LYS

LEU

LYS

GLN

THR

LEU

GLU

8

MET

ASN

LEU

THR

ASN

LEU

VAL

LYS

SER

GLY

9

PRO

SER

GLY

Entity 2, ZINC ION no.1 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: zf-B box, [U-13C; U-15N], 1.92 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; ZnCl2 0.05 mM; IDA 1.0 mM; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample_1	isotropic	condition_1
3D 13C-separated NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

NMRView v5.0.4, Johnson, B. A. - data analysis

Kujira v0.9732, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 700 MHz

PDB	2DJA
EMBL	CAB56154 CAB56170
GB	AAF07340 AAF07341 AAH17707 AAI40362 AAI46505
REF	NP_001178818 NP_035975 NP_036348 NP_438112 XP_001091577
SP	Q9QUS6 Q9UJV3
AlphaFold	Q9QUS6 Q9UJV3