BMRB Entry 25722

Name: Unveiling the structural determinants of KIAA0323 binding preference for NEDD8
Published: 2016-07-25

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PDB ID: 2n5m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25722
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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: Unveiling the structural determinants of KIAA0323 binding preference for NEDD8

Deposition date: 2015-07-21 Original release date: 2016-07-25

Authors: Santonico, Elena; Nepravishta, Ridvan; Mattioni, Anna; Valentini, Eleonora; Mandaliti, Walter; Procopio, Radha; Iannuccelli, Marta; Castagnoli, Luisa; Polo, Simona; Paci, Maurizio; Cesareni, Gianni

Citation: Santonico, Elena; Nepravishta, Ridvan; Mattioni, Anna; Valentini, Eleonora; Mandaliti, Walter; Procopio, Radha; Iannuccelli, Marta; Castagnoli, Luisa; Polo, Simona; Paci, Maurizio; Cesareni, Gianni. "Unveiling the structural determinants of KIAA0323 binding preference for NEDD8." Not known ., .-..

Assembly members:
KIAA0323, polymer, 52 residues, 6299.246 Da.

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):
KIAA0323: GGIRKTRETERLRRQLLEVF WGQDHKVDFILQREPYCRDI NQLSEALLSLNF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	50
1H chemical shifts	181

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KIAA0323	1

Entities:

Entity 1, KIAA0323 52 residues - 6299.246 Da.

The sequence is the C-terminal end of KIAA0323

1

GLY

ILE

ARG

LYS

THR

ARG

GLU

THR

GLU

2

ARG

LEU

ARG

GLN

LEU

GLU

VAL

PHE

3

TRP

GLY

GLN

ASP

HIS

LYS

VAL

ASP

PHE

ILE

4

LEU

GLN

ARG

GLU

PRO

TYR

CYS

ARG

ASP

ILE

5

ASN

GLN

LEU

SER

GLU

ALA

LEU

SER

LEU

6

ASN

PHE

Samples:

sample_1: KIAA0323, [U-100% 15N], 0.16 – 1.2 mM; H2O 90%; D2O 10%; Phosphate Buffer 12 mM

sample_conditions_1: ionic strength: 0.012 M; pH: 5.8; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

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

NMR spectrometers:

Bruker Avance 700 MHz

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