BMRB Entry 15576

Name: Ubiquitin-like domain of NFATC2IP. Northeast Structural Genomics Consortium Target hr5627.
Published: 2007-12-11

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PDB ID: 2jxx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15576
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Ubiquitin-like domain of NFATC2IP. Northeast Structural Genomics Consortium Target hr5627.

Deposition date: 2007-11-30 Original release date: 2007-12-11

Authors: Doherty, Ryan; Dhe-Paganon, Sirano; Fares, Christophe; Lemak, Alex; Butler, Chris; Srisailam, Sampath; Karra, Murthy; Yee, Adelinda; Edwards, Aled; Weigelt, Johan; Arrowsmith, Cheryl

Citation: Doherty, Ryan; Dhe-Paganon, Sirano; Fares, Christophe; Lemak, Alex; Butler, Chris; Srisailam, Sampath; Karra, Murthy; Yee, Adelinda; Weigelt, Johan; Edwards, Aled; Arrowsmith, Cheryl. "Solution structure of Ubiquitin-like domain of NFATC2IP." The BMRB entry is the only known published source for the data..

Assembly members:
NFATC2IP, polymer, 97 residues, 8739.932 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):
NFATC2IP: MGSSHHHHHHSSGLVPRGST ETSQQLQLRVQGKEKHQTLE VSLSRDSPLKTLMSHYEEAM GLSGRKLSFFFDGTKLSGRE LPADLGMESGDLIEVWG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	312
15N chemical shifts	71
1H chemical shifts	512

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NFATC2IP	1

Entities:

Entity 1, NFATC2IP 97 residues - 8739.932 Da.

Residues 1-19 represent a non-native affinity tag.

1

MET

GLY

SER

HIS

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

THR

3

GLU

THR

SER

GLN

LEU

GLN

LEU

ARG

VAL

4

GLN

GLY

LYS

GLU

LYS

HIS

GLN

THR

LEU

GLU

5

VAL

SER

LEU

SER

ARG

ASP

SER

PRO

LEU

LYS

6

THR

LEU

MET

SER

HIS

TYR

GLU

ALA

MET

7

GLY

LEU

SER

GLY

ARG

LYS

LEU

SER

PHE

8

PHE

ASP

GLY

THR

LYS

LEU

SER

GLY

ARG

GLU

9

LEU

PRO

ALA

ASP

LEU

GLY

MET

GLU

SER

GLY

10

ASP

LEU

ILE

GLU

VAL

TRP

GLY

Samples:

H2O_CN_phage: NFATC2IP, [U-13C; U-15N], 0.9 mM; NaCl 500 mM; Tris-HCl 50 mM; Benzamidine 1 mM; NaN3 0.01%; ZnSO4 0.01 mM; Pf1 co-solvent Protease free Phage 12 mg/ml; D2O, [U-100% 2H], 10%; H2O 90%

H2O_NH: NFATC2IP, [U-15N], 0.9 mM; NaCl 500 mM; Tris-HCl 50 mM; Benzamidine 1 mM; NaN3 0.01%; ZnSO4 0.01 mM; D2O, [U-100% 2H], 10%; H2O 90%

D2O_CN: NFATC2IP, [U-13C; U-15N], 0.9 mM; NaCl 500 mM; Tris-HCl 50 mM; Benzamidine 1 mM; NaN3 0.01%; ZnSO4 0.01 mM; D2O, [U-100% 2H], 100%

H2O_CN: NFATC2IP, [U-13C; U-15N], 0.9 mM; NaCl 500 mM; Tris-HCl 50 mM; Benzamidine 1 mM; NaN3 0.01%; ZnSO4 0.01 mM; D2O, [U-100% 2H], 10%; H2O 90%

sample_conditions_1: ionic strength: 500 mM; pH: 8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	H2O_NH	isotropic	sample_conditions_1
2D 1H-13C Constant Time HSQC	D2O_CN	isotropic	sample_conditions_1
3D HNCO	H2O_CN	isotropic	sample_conditions_1
3D HNCA	H2O_CN	isotropic	sample_conditions_1
3D CBCA(CO)NH	H2O_CN	isotropic	sample_conditions_1
3D HBHA(CO)NH	H2O_CN	isotropic	sample_conditions_1
3D 1H-13C NOESY	H2O_CN	isotropic	sample_conditions_1
3D 1H-13C Aromatic NOESY	H2O_CN	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	D2O_CN	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	D2O_CN	isotropic	sample_conditions_1
2D 1H-15N HSQC	H2O_CN	isotropic	sample_conditions_1
2D 1H-15N IPAP HSQC	H2O_CN	isotropic	sample_conditions_1
2D 1H-15N IPAP HSQC	H2O_CN_phage	anisotropic	sample_conditions_1
3D 1H-15N NOESY	H2O_CN	isotropic	sample_conditions_1
3D 1H-13C NOESY	D2O_CN	isotropic	sample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

SPARKY, Goddard - peak picking

TOPSPIN, Bruker Biospin - collection

PSVS, Bhattacharya and Montelione - refinement

WhatIF, Vriend - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz

PIR	Q8NCF5
REF	NP_116204 NP_116204 XP_001102777 XP_001146533 XP_002802482 XP_002826318
PDB	2JXX
DBJ	BAB17279 BAB55189 BAC11189 BAH12551 BAH14223
GB	AAH18311 AAH21551 AAH68007 AAH80628 AAI01742
SP	Q8NCF5 Q9GLZ9

Biological Magnetic Resonance Data Bank