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BMRB: 18255

2LPD

Solution structure of a MbtH-like protein from Burkholderia pseudomallei, the etiological agent responsible for melioidosis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target BupsA.13472.b.

Authors

Buchko, G.W.

Assembly

MbtH-like protein

Entity

1. MbtH-like protein (polymer, Thiol state: all free), 95 monomers, 10790.83 Da Detail

MAHHHHHHMG TLEAQTQGPG SMDDELYFVV RNNEGQYSVW MDGRSLPAGW ETVGEPATKQ QCLQRIEQLW TDMVPASVRE HLNQHSGPGI DYAVR

Formula weight

10790.83 Da

Source organism

Burkholderia pseudomallei

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.7 %, Completeness: 80.2 %, Completeness (bb): 84.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.2 % (865 of 1079)	77.9 % (436 of 560)	82.2 % (341 of 415)	84.6 % (88 of 104)
Backbone	84.6 % (474 of 560)	83.0 % (161 of 194)	85.1 % (235 of 276)	86.7 % (78 of 90)
Sidechain	77.5 % (469 of 605)	75.1 % (275 of 366)	81.8 % (184 of 225)	71.4 % (10 of 14)
Aromatic	65.7 % (67 of 102)	66.7 % (34 of 51)	62.5 % (30 of 48)	100.0 % (3 of 3)
Methyl	98.8 % (81 of 82)	97.6 % (40 of 41)	100.0 % (41 of 41)

1. entity

MAHHHHHHMG TLEAQTQGPG SMDDELYFVV RNNEGQYSVW MDGRSLPAGW ETVGEPATKQ QCLQRIEQLW TDMVPASVRE HLNQHSGPGI DYAVR

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	MbtH	[U-99% 13C; U-99% 15N]	1.0 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	1 (±0.1) mM
5	H2O	natural abundance	93 %
6	D2O	natural abundance	7 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	MbtH	[U-99% 15N]	1.0 (±0.2) mM
8	sodium chloride	natural abundance	100 (±2.0) mM
9	TRIS	natural abundance	20 (±1.0) mM
10	DTT	natural abundance	1 (±0.1) 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: -0.12 ppm, Outliers: 2 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: -0.12 ppm, Outliers: 2 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: 3 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: 0.16 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LPD, Strand ID: A Detail

Release date

2012-02-12

Citation

Solution structure of a MbtH-like protein from Burkholderia pseudomallei, the etiological agent responsible for melioidosis
Buchko, G.W., Hewitt, S.N., Napuli, A.J., Van Voorhis, W.C., Myler, P.J.
Not known

Related entities 1. MbtH-like protein, : 1 : 5 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC