BMRBj - BMREntryMaster

Found 1 Document (0.658 seconds)

BMRB: 18016

2LKY

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

Authors

Buchko, G.W.

Assembly

SSGCID

Entity

1. SSGCID (polymer, Thiol state: not present), 112 monomers, 12417.83 Da Detail

GPGSMVNAFL AKIAAWLNAG YPEGVPGPDR VPLLALLTRR LTNDEIKAIA EDLEKRAHFD HIDIGVLITQ MTDEMPREED IERVRRHLAL QGWPLDDPRD GEEPDGESGG PR

Formula weight

12417.83 Da

Source organism

Mycolicibacterium smegmatis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 90.8 %, Completeness (bb): 90.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.8 % (1150 of 1267)	90.4 % (600 of 664)	90.5 % (447 of 494)	94.5 % (103 of 109)
Backbone	90.2 % (588 of 652)	89.3 % (201 of 225)	89.5 % (291 of 325)	94.1 % (96 of 102)
Sidechain	92.5 % (662 of 716)	90.9 % (399 of 439)	94.8 % (256 of 270)	100.0 % (7 of 7)
Aromatic	78.1 % (50 of 64)	78.1 % (25 of 32)	76.7 % (23 of 30)	100.0 % (2 of 2)
Methyl	96.0 % (119 of 124)	95.2 % (59 of 62)	96.8 % (60 of 62)

1. entity

GPGSMVNAFL AKIAAWLNAG YPEGVPGPDR VPLLALLTRR LTNDEIKAIA EDLEKRAHFD HIDIGVLITQ MTDEMPREED IERVRRHLAL QGWPLDDPRD GEEPDGESGG PR

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	MSMEG_1053	[U-99% 13C; U-99% 15N]	1.0 (±0.1) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	DTT	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	20 (±0.5) mM
5	H2O	natural abundance	93 %
6	D2O	natural abundance	7 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	MSMEG_1053	[U-99% 13C; U-99% 15N]	1.0 (±0.1) mM
8	sodium chloride	natural abundance	100 (±2.0) mM
9	DTT	natural abundance	1 (±0.1) mM
10	TRIS	natural abundance	20 (±0.5) mM
11	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.47 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 17 models in PDB: 2LKY, Strand ID: A Detail

Release date

2011-11-28

Citation

Different structures for two DUF3349 annotated proteins in the genome of Mycobacterium smegmatis suggest a structural diversity within the DUF3349 superfamily
Buchko, G.W., Edwards, T.E., Abendroth, J., Napuli, A.J., Hewitt, S.N., Phan, I., Van Voorhis, W.C., Kim, C., Myler, P.J.
Not known

Related entities 1. SSGCID, : 1 : 8 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC