BMRBj - BMREntryMaster

Found 1 Document (1.768 seconds)

BMRB: 5279

1L3O

A Quick Solution Structure Determination of the Fully Oxidized Double Mutant K9-10A Cytochrome c7 from Desulfuromonas acetoxidans and Mechanistic Implications

Authors

Assfalg, M., Bertini, I., Turano, P., Bruschi, M., Durand, M.C., Giudici-Orticoni, M.T., Dolla, A.

Assembly

cytochrome c7

Entity

1. cytochrome c7 (polymer, Thiol state: all other bound), 68 monomers, 7147.974 Da Detail

ADVVTYENAA GNVTFDHKAH AEKLGCDACH EGTPAKIAID KKSAHKDACK TCHKSNNGPT KCGGCHIK

2. HEC (non-polymer), 618.503 × 3 Da

Total weight

9003.483 Da

Max. entity weight

7147.974 Da

Entity Connection

na 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:HIS17:NE2	2:HEC1:FE
2	na	sing	1:HIS30:NE2	2:HEC1:FE
3	na	sing	1:HIS45:NE2	2:HEC1:FE
4	na	sing	1:HIS66:NE2	2:HEC1:FE
5	na	sing	1:HIS20:NE2	2:HEC1:FE
6	na	sing	1:HIS53:NE2	2:HEC1:FE

Source organism

Desulfuromonas acetoxidans

Exptl. method

NMR

Refine. method

simulated annealing in torsion angle space; restrained energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 84.1 %, Completeness (bb): 96.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	84.1 % (313 of 372)	84.1 % (313 of 372)
Backbone	96.4 % (135 of 140)	96.4 % (135 of 140)
Sidechain	76.7 % (178 of 232)	76.7 % (178 of 232)
Aromatic	14.3 % (3 of 21)	14.3 % (3 of 21)
Methyl	89.7 % (26 of 29)	89.7 % (26 of 29)

1. cytochrome c7

ADVVTYENAA GNVTFDHKAH AEKLGCDACH EGTPAKIAID KKSAHKDACK TCHKSNNGPT KCGGCHIK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Concentration
1	cytochrome c7	2 mM
2	oxidized heme c	6 mM
3	sodium phosphate buffer	100 mM
4	D2O	10 %
5	H2O	90 %

Chem. Shift Complete2

Sequence coverage: 10.3 %, Completeness: 44.1 %, Completeness (bb): 52.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	44.1 % (328 of 744)	44.1 % (328 of 744)
Backbone	52.1 % (146 of 280)	52.1 % (146 of 280)
Sidechain	39.2 % (182 of 464)	39.2 % (182 of 464)
Aromatic	7.1 % (3 of 42)	7.1 % (3 of 42)
Methyl	46.6 % (27 of 58)	46.6 % (27 of 58)

1. cytochrome c7

ADVVTYENAA GNVTFDHKAH AEKLGCDACH EGTPAKIAID KKSAHKDACK TCHKSNNGPT KCGGCHIK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Concentration
1	cytochrome c7	2 mM
2	oxidized heme c	6 mM
3	sodium phosphate buffer	100 mM
4	D2O	10 %
5	H2O	90 %

Chem. Shift Complete3

Sequence coverage: 2.9 %, Completeness: 29.9 %, Completeness (bb): 36.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	29.9 % (334 of 1116)	29.9 % (334 of 1116)
Backbone	36.0 % (151 of 420)	36.0 % (151 of 420)
Sidechain	26.3 % (183 of 696)	26.3 % (183 of 696)
Aromatic	4.8 % (3 of 63)	4.8 % (3 of 63)
Methyl	32.2 % (28 of 87)	32.2 % (28 of 87)

1. cytochrome c7

ADVVTYENAA GNVTFDHKAH AEKLGCDACH EGTPAKIAID KKSAHKDACK TCHKSNNGPT KCGGCHIK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Concentration
1	cytochrome c7	2 mM
2	oxidized heme c	6 mM
3	sodium phosphate buffer	100 mM
4	D2O	10 %
5	H2O	90 %

Chem. Shift Complete4

Sequence coverage: 7.4 %, Completeness: 23.3 %, Completeness (bb): 28.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	23.3 % (346 of 1488)	23.3 % (346 of 1488)
Backbone	28.6 % (160 of 560)	28.6 % (160 of 560)
Sidechain	20.0 % (186 of 928)	20.0 % (186 of 928)
Aromatic	3.6 % (3 of 84)	3.6 % (3 of 84)
Methyl	25.0 % (29 of 116)	25.0 % (29 of 116)

1. cytochrome c7

ADVVTYENAA GNVTFDHKAH AEKLGCDACH EGTPAKIAID KKSAHKDACK TCHKSNNGPT KCGGCHIK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Concentration
1	cytochrome c7	2 mM
2	oxidized heme c	6 mM
3	sodium phosphate buffer	100 mM
4	D2O	10 %
5	H2O	90 %

Protein Blocks Logo

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

Release date

2002-03-31

Citation

A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications
Assfalg, M., Bertini, I., Turano, P., Bruschi, M., Durand, M.C., Giudici-Orticoni, M.T., Dolla, A.
J. Biomol. NMR (2002), 22, 107-122, PubMed 11883773 , DOI: , Abstract

Related entities 1. cytochrome c7, : 1 : 1 : 6 : 30 entities Detail

Experiments performed 1 experiments Detail

nullKeywords automatic assignment, cytochrome c7, electron transfer, multiheme cytochromes, NMR solution structure

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Found 1 Document (1.768 seconds)

BMRB: 5279

Sample

Sample

Sample

Sample

Related entities 1. cytochrome c7, : 1 : 1 : 6 : 30 entities Detail

Experiments performed 1 experiments Detail

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Sample