BMRB Entry 18511

Name: Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D
Published: 2012-08-21

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PDB ID: 2lu7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18511
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D

Deposition date:

2012-06-08

Original release date:

2012-08-21

Authors:

Pulavarti, Surya V.S.R.K; Eletsky, Alex; Satyamoorthy, Bharatwaj; Sukumaran, Dinesh; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas

Citation:

Citation: Pulavarti, Surya V.S.R.K; Eletsky, Alex; Satyamoorthy, Bharatwaj; Sukumaran, Dinesh; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D" To be published ., .-..

Assembly members:

Assembly members:
HR8578D, polymer, 84 residues, 8888.005 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: pET15Avi6HT_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR8578D: SHMTRVRSTPGGDLELVVHL SGPGGPVRWYKDGERLASQG RVQLEQAGARQVLRVQGARS GDAGEYLCDAPQDSRIFLVS VEEP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	542
13C chemical shifts	332
15N chemical shifts	79

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR8578D	1

Entities:

Entity 1, HR8578D 84 residues - 8888.005 Da.

1

SER

HIS

MET

THR

ARG

VAL

ARG

SER

THR

PRO

2

GLY

ASP

LEU

GLU

LEU

VAL

HIS

LEU

3

SER

GLY

PRO

GLY

PRO

VAL

ARG

TRP

TYR

4

LYS

ASP

GLY

GLU

ARG

LEU

ALA

SER

GLN

GLY

5

ARG

VAL

GLN

LEU

GLU

GLN

ALA

GLY

ALA

ARG

6

GLN

VAL

LEU

ARG

VAL

GLN

GLY

ALA

ARG

SER

7

GLY

ASP

ALA

GLY

GLU

TYR

LEU

CYS

ASP

ALA

8

PRO

GLN

ASP

SER

ARG

ILE

PHE

LEU

VAL

SER

9

VAL

GLU

PRO

Samples:

sample_1: HR8578D.005, [U-100% 13C; U-100% 15N], 0.56 mM; NaCl 100 mM; DTT 5 mM; NaN3 0.02%; Tris-HCl pH 7.5 10 mM; H20 90%; D20 10%

sample_2: HR8578D.006, [U-5% 13C; U-100% 15N], 0.52 mM; NaCl 100 mM; DTT 5 mM; NaN3 0.02%; Tris-HCl pH 7.5 10 mM; H20 90%; D20 10%

sample_conditions_1: pH: 7.5; 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-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC (CT-28 ms) aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC (CT-16 ms) aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC (CT-27 ms) aliphatic	sample_1	isotropic	sample_conditions_1
3D C(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D-HCCH-COSY-ali	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY-aro	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC (CT-56 ms) aliphatic	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1

Software:

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

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

VNMRJ, Varian - collection

CSI, (CSI) Wishart and Sykes - Secondary structure analysis

PROSA v6.4, Guntert - processing

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PSVS, Bhattacharya, Montelione - structure validation

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

UNP	O75147
NCBI	23363
PDB	2LU7
AlphaFold	S4R3M6