BMRB Entry 16083

Name: Northeast Structural Genomics Consortium (NESG), target MrR121A
Published: 2009-01-13

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PDB ID: 2kck
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16083
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Northeast Structural Genomics Consortium (NESG), target MrR121A

Deposition date:

2008-12-22

Original release date:

2009-01-13

Authors:

Barb, Adam; Lee, Hsiau Wei; Wang, Xu; Magliqui, Melissa; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Lui, Jinfeng; Everett, John; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Prestegard, James

Citation:

Citation: Barb, Adam. "Northeast Structural Genomics Target MrR121A" .

Assembly members:

Assembly members:
MrR121a, polymer, 112 residues, 40685.895 Da.

Natural source:

Natural source: Common Name: Methanococcus maripaludis Taxonomy ID: 39152 Superkingdom: Archaea Kingdom: not available Genus/species: Methanococcus maripaludis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET 21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MrR121a: MVDQNPEEYYLEGVLQYDAG NYTESIDLFEKAIQLDPEES KYWLMKGKALYNLERYEEAV DCYNYVINVIEDEYNKDVWA AKADALRYIEGKEVEAEIAE ARAKLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
RDCs
- RDC_list_1
- RDC_list_2

Data type	Count
13C chemical shifts	370
15N chemical shifts	100
1H chemical shifts	578
residual dipolar couplings	144

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MrR121a	1

Entities:

Entity 1, MrR121a 112 residues - 40685.895 Da.

1

MET

VAL

ASP

GLN

ASN

PRO

GLU

TYR

2

LEU

GLU

GLY

VAL

LEU

GLN

TYR

ASP

ALA

GLY

3

ASN

TYR

THR

GLU

SER

ILE

ASP

LEU

PHE

GLU

4

LYS

ALA

ILE

GLN

LEU

ASP

PRO

GLU

SER

5

LYS

TYR

TRP

LEU

MET

LYS

GLY

LYS

ALA

LEU

6

TYR

ASN

LEU

GLU

ARG

TYR

GLU

ALA

VAL

7

ASP

CYS

TYR

ASN

TYR

VAL

ILE

ASN

VAL

ILE

8

GLU

ASP

GLU

TYR

ASN

LYS

ASP

VAL

TRP

ALA

9

ALA

LYS

ALA

ASP

ALA

LEU

ARG

TYR

ILE

GLU

10

GLY

LYS

GLU

VAL

GLU

ALA

GLU

ILE

ALA

GLU

11

ALA

ARG

ALA

LYS

LEU

GLU

HIS

12

HIS

Samples:

sample_1: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM

sample_2: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM; Phage 2.92 mg / mL

sample_3: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM; PEG 4.11%

sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions2: pH: 6.5; temperature: 298 K

sample_conditions3: pH: 6.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions2
2D 1H-15N HSQC	sample_3	anisotropic	sample_conditions3
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

VNMRJ, Varian - collection

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis

X-PLOR, Brunger - refinement

NMR spectrometers:

Varian INOVA 600 MHz