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BMRB: 16144

6UHW

Backbone and side chain 1H, 13C, and 15N NMR assignments for the organic hydroperoxide resistance protein (Ohr) from Burkholderia pseudomallei, Seattle Structural Genomics Center for Infectious Disease (SSGCID) target BupsA.00074

Authors

Buchko, G.W., Hewitt, S.N., Napuli, A.J., Van Voorhis, W.C., Myler, P.J.

Assembly

Bp-Ohr

Entity

1. Bp-Ohr (polymer, Thiol state: all free), 160 monomers, 16680.50 × 2 Da Detail

MAHHHHHHMG TLEAQTQGPG SMNILYKTAA TSTGGRDGRA TSHDQKLDVK LSAPRELGGA GAEGTNPEQL FAAGYSACFL SAMKFVAGQN KQTLPADTTV TAEVGIGPNE EGGFALDVEL RVALPGLDAA AAKTLVDRAH HVCPYSNATR NNVAVRLVVA

Total weight

33361.0 Da

Max. entity weight

16680.5 Da

Source organism

Burkholderia pseudomallei

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.8 %, Completeness: 79.3 %, Completeness (bb): 87.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.3 % (1347 of 1698)	75.8 % (656 of 866)	82.0 % (546 of 666)	87.3 % (145 of 166)
Backbone	87.7 % (830 of 946)	87.0 % (287 of 330)	87.3 % (404 of 463)	90.8 % (139 of 153)
Sidechain	72.2 % (646 of 895)	68.8 % (369 of 536)	78.3 % (271 of 346)	46.2 % (6 of 13)
Aromatic	48.0 % (48 of 100)	48.0 % (24 of 50)	48.0 % (24 of 50)
Methyl	90.4 % (170 of 188)	92.6 % (87 of 94)	88.3 % (83 of 94)

1. organic hydroperoxide resistance protein (Ohr)

MAHHHHHHMG TLEAQTQGPG SMNILYKTAA TSTGGRDGRA TSHDQKLDVK LSAPRELGGA GAEGTNPEQL FAAGYSACFL SAMKFVAGQN KQTLPADTTV TAEVGIGPNE EGGFALDVEL RVALPGLDAA AAKTLVDRAH HVCPYSNATR NNVAVRLVVA

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	organic hydroperoxide resistance protein (Ohr)	[U-99% 13C; U-99% 15N]	1.20 (±0.2) mM
2	sodium chloride	natural abundance	100 (±3.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	TRIS	natural abundance	20 (±1.0) mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.1 (±0.1)

#	Name	Isotope labeling	Concentration
5	organic hydroperoxide resistance protein (Ohr)	[U-99% 13C; U-100% 15N; U-50% 2H]	1.20 (±0.2) mM
6	sodium chloride	natural abundance	100 (±3.0) mM
7	DTT	natural abundance	1 (±0.2) mM
8	TRIS	natural abundance	20 (±1.0) mM

LACS Plot; CA

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.12 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.5 ppm, Outliers: 3 Detail

Release date

2009-01-29

Citation

Backbone and side chain (1)H, (13)C, and (15)N NMR assignments for the organic hydroperoxide resistance protein (Ohr) from Burkholderia pseudomallei
Buchko, G.W., Hewitt, S.N., Napuli, A.J., Van Voorhis, W.C., Myler, P.J.
Biomol. NMR Assign. (2009), 3, 163-166, PubMed 19888681 , DOI 10.1007/s12104-009-9165-5 , Abstract

Related entities 1. Bp-Ohr, : 1 : 41 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC