BMRB Entry 19356

Name: Solution structure of the chimeric hydrophobin NChi2
Published: 2014-02-13

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PDB ID: 4bwh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19356
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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 chimeric hydrophobin NChi2

Deposition date:

2013-07-10

Original release date:

2014-02-13

Authors:

Ren, Qin; Sunde, Margaret; Kwan, Ann

Citation:

Citation: Ren, Qin; Kwan, Ann; Sunde, Margaret. "Solution structure and interface-driven self-assembly of NC2, a new member of the Class II hydrophobin proteins." Proteins 82, 990-1003 (2014).
PubMed: 24218020

Assembly members:

Assembly members:
Nchi2, polymer, 88 residues, 9014.035 Da.

Natural source:

Natural source: Common Name: Neurospora crassa Taxonomy ID: 5141 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Neurospora crassa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pHUE

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Nchi2: SPAAMERQVPYTPCSGLYGT AQCCATDVLGVADLDCANPP ATLANATHFESTCAAIGQRA RCCKDDVTNTGNSFLIINAA NCQTPAGL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list
heteronucl_NOEs
- heteronuclear_noe_list
heteronucl_T1_relaxation
- heteronuclear_T1_list
heteronucl_T2_relaxation
- heteronuclear_T2_list

Data type	Count
13C chemical shifts	274
15N chemical shifts	91
1H chemical shifts	503
T1 relaxation values	80
T2 relaxation values	80
heteronuclear NOE values	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Nchi2	1

Entities:

Entity 1, Nchi2 88 residues - 9014.035 Da.

1

SER

PRO

ALA

MET

GLU

ARG

GLN

VAL

PRO

2

TYR

THR

PRO

CYS

SER

GLY

LEU

TYR

GLY

THR

3

ALA

GLN

CYS

ALA

THR

ASP

VAL

LEU

GLY

4

VAL

ALA

ASP

LEU

ASP

CYS

ALA

ASN

PRO

5

ALA

THR

LEU

ALA

ASN

ALA

THR

HIS

PHE

GLU

6

SER

THR

CYS

ALA

ILE

GLY

GLN

ARG

ALA

7

ARG

CYS

LYS

ASP

VAL

THR

ASN

THR

8

GLY

ASN

SER

PHE

LEU

ILE

ASN

ALA

9

ASN

CYS

GLN

THR

PRO

ALA

GLY

LEU

Samples:

sample_NChi2: Nchi2 0.50 mM; Glycine 50.00 mM; DSS 0.05 mM

sample_new_1: Nchi2 0.50 mM; Glycine 50.00 mM; DSS 0.05 mM

sample_new_2: Nchi2, [U-15N], 0.30 mM; Glycine 50.00 mM; DSS 0.05 mM

NChi2_1: ionic strength: 50.000 mM; pH: 2.500; pressure: 1.000 atm; temperature: 318.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_NChi2	isotropic	NChi2_1
H-H NOESY	sample_new_1	solution	NChi2_1
T1	sample_new_2	solution	NChi2_1
T2	sample_new_2	solution	NChi2_1
HETERONOE	sample_new_2	solution	NChi2_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - solution structure and refinement

AutoDep v4.3, Sen et al. - data deposition

CNS vany - data analysis

ANALYSIS v2.1, CCPN - peak picking and data analysis

DANGLE v1.1, Cheung, Maguire, Stevens and Broadhurst - Secondary structure prediction

MOLPROBITY v4.02B, Chen et al. - data analysis

Molmol v2K.2, Koradi, Billeter and Wuthrich - data analysis

ProcheckNMR v3.4, Laskowski and MacArthur - structure validation

TOPSPIN v2.1, Bruker Biospin - data collection

NMR spectrometers:

Bruker Avance 600 MHz
Bruker AVANCE 600 MHz

UNP	Q7S3P5_NEUCR RODL_NEUCR
AlphaFold	Q7S3P5 Q7SC53