BMRB Entry 18016

Name: Solution structure of MSMEG_1053, the second DUF3349 annotated protein in the genome of Mycobacterium smegmatis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MysmA.17112.b
Published: 2011-11-29

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PDB ID: 2lky
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18016
MolProbity Validation Chart

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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:

Solution structure of MSMEG_1053, the second DUF3349 annotated protein in the genome of Mycobacterium smegmatis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MysmA.17112.b

Deposition date:

2011-10-22

Original release date:

2011-11-29

Authors:

Buchko, Garry

Citation:

Citation: Buchko, Garry; Edwards, Thomas; Abendroth, Jan; Napuli, Alberto; Hewitt, Stephen; Phan, Isabelle; Van Voorhis, Wesley; Kim, Chang-Yub; Myler, Peter. "Different structures for two DUF3349 annotated proteins in the genome of Mycobacterium smegmatis suggest a structural diversity within the DUF3349 superfamily." .

Assembly members:

Assembly members:
entity, polymer, 112 residues, 12434.074 Da.

Natural source:

Natural source: Common Name: High GC Gram+ Taxonomy ID: 1772 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium smegmatis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: AVA0421

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPGSMVNAFLAKIAAWLNAG YPEGVPGPDRVPLLALLTRR LTNDEIKAIAEDLEKRAHFD HIDIGVLITQMTDEMPREED IERVRRHLALQGWPLDDPRD GEEPDGESGGPR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	453
15N chemical shifts	108
1H chemical shifts	744

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SSGCID	1

Entities:

Entity 1, SSGCID 112 residues - 12434.074 Da.

Residues 1-4 represent non-native residues that remain after the removal of an N-terminal affinity tag.

1

GLY

PRO

GLY

SER

MET

VAL

ASN

ALA

PHE

LEU

2

ALA

LYS

ILE

ALA

TRP

LEU

ASN

ALA

GLY

3

TYR

PRO

GLU

GLY

VAL

PRO

GLY

PRO

ASP

ARG

4

VAL

PRO

LEU

ALA

LEU

THR

ARG

5

LEU

THR

ASN

ASP

GLU

ILE

LYS

ALA

ILE

ALA

6

GLU

ASP

LEU

GLU

LYS

ARG

ALA

HIS

PHE

ASP

7

HIS

ILE

ASP

ILE

GLY

VAL

LEU

ILE

THR

GLN

8

MET

THR

ASP

GLU

MET

PRO

ARG

GLU

ASP

9

ILE

GLU

ARG

VAL

ARG

HIS

LEU

ALA

LEU

10

GLN

GLY

TRP

PRO

LEU

ASP

PRO

ARG

ASP

11

GLY

GLU

PRO

ASP

GLY

GLU

SER

GLY

12

PRO

ARG

Samples:

sample_1: MSMEG_1053, [U-99% 13C; U-99% 15N], 1.0 ± 0.1 mM; sodium chloride 100 ± 2 mM; DTT 1 ± 0.1 mM; TRIS 20 ± 0.5 mM; H2O 93%; D2O 7%

sample_2: MSMEG_1053, [U-99% 13C; U-99% 15N], 1.0 ± 0.1 mM; sodium chloride 100 ± 2 mM; DTT 1 ± 0.1 mM; TRIS 20 ± 0.5 mM; D2O 100%

sample_conditions_1: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
2D HBCBCGCDCDHD	sample_1	isotropic	sample_conditions_1
2D HBCBCGCDCEHE	sample_1	isotropic	sample_conditions_1
DEUTERIUM EXCHANGE	sample_2	isotropic	sample_conditions_2

Software:

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

FELIX v2007, Accelrys Software Inc. - processing

SPARKY v3.115, Goddard - data analysis, peak picking

CNSSOLVE v2.6, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS v1.3, Bhattacharya and Montelione - data analysis

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 600 MHz
Varian INOVA 500 MHz

PDB	2LKY
EMBL	CKH10149
GB	ABK71419 AFP37510 AIU06313 AIU12938 AIU19562
REF	WP_003892430 YP_885459