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Found 1 Document (1.676 seconds)

BMRB: 5148

1JQ4

NMR Structure of the [2Fe-2S] Ferredoxin Domain from Soluble Methane Monooxygenase Reductase and Interaction with its Hydroxylase

Authors

Muller, J., Lugovskoy, A.A., Wagner, G., Lippard, S.J.

Assembly

METHANE MONOOXYGENASE COMPONENT C

Entity

1. [2Fe-2S] domain of Methane Monooxygenase Reductase (polymer, Thiol state: free and other bound), 98 monomers, 10931.23 Da Detail

MQRVHTITAV TEDGESLRFE CRSDEDVITA ALRQNIFLMS SCREGGCATC KALCSEGDYD LKGCSVQALP PEEEEEGLVL LCRTYPKTDL EIELPYTH

2. FES (non-polymer), 175.820 Da

Total weight

11107.051 Da

Max. entity weight

10931.23 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	2:FES1:FE1	1:CYS42:SG
2	metal coordination	sing	2:FES1:FE1	1:CYS47:SG
3	metal coordination	sing	2:FES1:FE2	1:CYS50:SG
4	metal coordination	sing	2:FES1:FE2	1:CYS82:SG

Source organism

Methylococcus capsulatus

Exptl. method

NMR

Refine. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.7 %, Completeness: 73.5 %, Completeness (bb): 81.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.5 % (798 of 1086)	72.2 % (406 of 562)	73.5 % (313 of 426)	80.6 % (79 of 98)
Backbone	81.4 % (472 of 580)	82.3 % (163 of 198)	80.2 % (231 of 288)	83.0 % (78 of 94)
Sidechain	67.4 % (403 of 598)	66.8 % (243 of 364)	69.1 % (159 of 230)	25.0 % (1 of 4)
Aromatic	21.2 % (11 of 52)	42.3 % (11 of 26)	0.0 % (0 of 26)
Methyl	79.6 % (86 of 108)	81.5 % (44 of 54)	77.8 % (42 of 54)

1. [2Fe-2S] domain of Methane Monooxygenase Reductase

MQRVHTITAV TEDGESLRFE CRSDEDVITA ALRQNIFLMS SCREGGCATC KALCSEGDYD LKGCSVQALP PEEEEEGLVL LCRTYPKTDL EIELPYTH

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1), Details A proprietary protease inhibitor tablet has been used ("Complete Mini EDTA free" from Roche Diagnostics, Germany).

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

LACS Plot; CA

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

Referencing offset: 0.96 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.96 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.6 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 1JQ4, Strand ID: A Detail

Release date

2002-01-22

Citation

NMR structure of the [2Fe-2S] ferredoxin domain from soluble methane monooxygenase reductase and interaction with its hydroxylase
Muller, J., Lugovskoy, A.A., Wagner, G., Lippard, S.J.
Biochemistry (2002), 41, 42-51, PubMed 11772001 , DOI: , Abstract

Related entities 1. [2Fe-2S] domain of Methane Monooxygenase Reductase, : 1 : 1 : 201 entities Detail

Experiments performed 13 experiments Detail

1 HNCA

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1), Details A proprietary protease inhibitor tablet has been used ("Complete Mini EDTA free" from Roche Diagnostics, Germany).

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

2 HN(CO)CA

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

3 HN(CA)CB

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

4 HN(COCA)CB

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

5 HNCO

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

6 HCCH-TOCSY

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

7 15N NOESY-HSQC

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

8 13C NOESY-HSQC

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

9 NOESY

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

10 15N TOCSY-HSQC

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

11 15N HSQC

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

12 H(C-CO)NH-TOCSY

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

13 (H)C(CO)NH-TOCSY

Instrument

Varian UNITY-INOVA - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	[2Fe-2S] domain of Methane Monooxygenase Reductase	[U-13C; U-15N; U-70% 2H]	0.5 mM
2	sodium phosphate buffer		50 mM
3	DTT		1 mM
4	sodium dithionite		1.5 mM
5	NaN3		0.1 %
6	protease inhibitor		1 na

nullKeywords [2Fe-2S] ferredoxin

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Found 1 Document (1.676 seconds)

BMRB: 5148

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Related entities 1. [2Fe-2S] domain of Methane Monooxygenase Reductase, : 1 : 1 : 201 entities Detail

Experiments performed 13 experiments Detail

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