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Found 1 Document (0.928 seconds)

BMRB: 30677

6UHW

Solution structure of an organic hydroperoxide resistance protein from Burkholderia pseudomallei. Seattle Structural Genomics Center for Infectious Disease target BupsA.00074.a.

Authors

Buchko, G.W., Seattle Structural Genomics Center for Infectious Disease (SSGCID), S.

Assembly

Organic hydroperoxide resistance protein

Entity

1. Organic hydroperoxide resistance protein (polymer), 139 monomers, 14397.04 × 2 Da Detail

MNILYKTAAT STGGRDGRAT SHDQKLDVKL SAPRELGGAG AEGTNPEQLF AAGYSACFLS AMKFVAGQNK QTLPADTTVT AEVGIGPNEE GGFALDVELR VALPGLDAAA AKTLVDRAHH VCPYSNATRN NVAVRLVVA

Total weight

28794.08 Da

Max. entity weight

14397.04 Da

Source organism

Burkholderia pseudomallei 1710b

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 83.7 %, Completeness (bb): 91.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.7 % (1236 of 1477)	80.5 % (606 of 753)	84.8 % (492 of 580)	95.8 % (138 of 144)
Backbone	91.0 % (748 of 822)	90.6 % (259 of 286)	88.8 % (358 of 403)	98.5 % (131 of 133)
Sidechain	76.8 % (599 of 780)	74.3 % (347 of 467)	81.1 % (245 of 302)	63.6 % (7 of 11)
Aromatic	57.9 % (44 of 76)	57.9 % (22 of 38)	57.9 % (22 of 38)
Methyl	99.4 % (175 of 176)	100.0 % (88 of 88)	98.9 % (87 of 88)

1. entity 1

MNILYKTAAT STGGRDGRAT SHDQKLDVKL SAPRELGGAG AEGTNPEQLF AAGYSACFLS AMKFVAGQNK QTLPADTTVT AEVGIGPNEE GGFALDVELR VALPGLDAAA AKTLVDRAHH VCPYSNATRN NVAVRLVVA

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7 (±0.1), Details 20 mM TRIS, 100 mM sodium chloride, 1 mM DTT, 1 mM [U-99% 13C; U-99% 15N] B74, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7 (±0.1), Details 20 mM TRIS, 100 mM sodium chloride, 1 mM DTT, 1 mM 99% 13C; U-99% 15N; 50%-2H]] B74, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
5	TRIS	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM
7	DTT	natural abundance	1 mM
8	B74	99% 13C; U-99% 15N; 50%-2H]]	1 (±0.2) mM

Sample #3

Solvent system 99% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7 (±0.1), Details 20 mM TRIS, 100 mM sodium chloride, 1 mM DTT, 1 mM 99% 13C; U-99% 15N] B74, 99% D2O

#	Name	Isotope labeling	Concentration
9	TRIS	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	B74	99% 13C; U-99% 15N]	1 (±0.2) mM

Sample #4

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7 (±0.1), Details 20 mM TRIS, 100 mM sodium chloride, 1 mM DTT, 1 mM [U-10% 13C; U-99% 15N] B74, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
13	TRIS	natural abundance	20 mM
14	sodium chloride	natural abundance	100 mM
15	DTT	natural abundance	1 mM
16	B74	[U-10% 13C; U-99% 15N]	1 (±0.2) mM

LACS Plot; CA

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

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.15 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.39 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6UHW, Strand ID: A, B Detail

Release date

2019-10-08

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

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16144 released on 2009-01-29
Title 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

Related entities 1. Organic hydroperoxide resistance protein, : 1 : 40 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VXRS - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7 (±0.1), Details 20 mM TRIS, 100 mM sodium chloride, 1 mM DTT, 1 mM [U-99% 13C; U-99% 15N] B74, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE II - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

3 2D 1H-15N HSQC

Instrument

Bruker AVANCE II - 750 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7 (±0.1), Details 20 mM TRIS, 100 mM sodium chloride, 1 mM DTT, 1 mM 99% 13C; U-99% 15N] B74, 99% D2O

#	Name	Isotope labeling	Concentration
9	TRIS	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	B74	99% 13C; U-99% 15N]	1 (±0.2) mM

4 3D C(CO)NH

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
5	TRIS	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM
7	DTT	natural abundance	1 mM
8	B74	99% 13C; U-99% 15N; 50%-2H]]	1 (±0.2) mM

5 3D HNCACB

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
5	TRIS	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM
7	DTT	natural abundance	1 mM
8	B74	99% 13C; U-99% 15N; 50%-2H]]	1 (±0.2) mM

6 3D HNCA

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	TRIS	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM
7	DTT	natural abundance	1 mM
8	B74	99% 13C; U-99% 15N; 50%-2H]]	1 (±0.2) mM

7 3D HNCO

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

8 3D 1H-13C NOESY aliphatic

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

9 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE II - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
9	TRIS	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	B74	99% 13C; U-99% 15N]	1 (±0.2) mM

10 3D 1H-13C NOESY aromatic

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

11 3D 1H-15N NOESY

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

12 3D HCCH-TOCSY

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	TRIS	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM
7	DTT	natural abundance	1 mM
8	B74	99% 13C; U-99% 15N; 50%-2H]]	1 (±0.2) mM

13 2D 1H-15N HSQC

Instrument

Bruker AVANCE II - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
9	TRIS	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	B74	99% 13C; U-99% 15N]	1 (±0.2) mM

14 3D H(CCO)NH

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	TRIS	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM
7	DTT	natural abundance	1 mM
8	B74	99% 13C; U-99% 15N; 50%-2H]]	1 (±0.2) mM

15 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE II - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
13	TRIS	natural abundance	20 mM
14	sodium chloride	natural abundance	100 mM
15	DTT	natural abundance	1 mM
16	B74	[U-10% 13C; U-99% 15N]	1 (±0.2) mM

16 2D 1H-13C HSQC aromatic

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	1 mM
4	B74	[U-99% 13C; U-99% 15N]	1 (±0.2) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30677_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30677_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1396		97.1 (chain: 1, length: 139)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 139, Sequence coverage: 97.1%
- Total number of assignments
  - ¹H chemical shifts: 780
  - ¹³C chemical shifts: 482
  - ¹⁵N chemical shifts: 134
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	753	604	80.2
¹³C chemical shifts	580	482	83.1
¹⁵N chemical shifts	151	134	88.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	260	90.9
¹³C chemical shifts	278	242	87.1
¹⁵N chemical shifts	133	128	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	467	344	73.7
¹³C chemical shifts	302	240	79.5
¹⁵N chemical shifts	18	6	33.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	88	97.8
¹³C chemical shifts	90	87	96.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	22	57.9
¹³C chemical shifts	38	22	57.9

Keywords Melioidosis, OXIDOREDUCTASE, SSGCID, Seattle Structural Genomics Center for Infectious Disease, Structural Genomics, biological warfare agent, detoxification, infectious diseases

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Found 1 Document (0.928 seconds)

BMRB: 30677

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Organic hydroperoxide resistance protein, : 1 : 40 entities Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 3 contents Detail