BMRB: 5091

Solution structure of A67V mutant of rat ferro cytochrome B5

Authors

Shahzad, N., Dangi, B., Blankman, J.I., Guiles, R.D.

Assembly

CYTOCHROME B5

Entity

1. CYTOCHROME B5 (polymer, Thiol state: not present), 94 monomers, 10822.80 Da Detail

DKDVKYYTLE EIQKHKDSKS TWVILHHKVY DLTKFLEEHP GGEEVLREQA GGDATENFED VGHSTDVREL SKTYIIGELH PDDRSKIAKP SETL

2. HEM (non-polymer), 616.487 Da

Total weight

11439.287 Da

Max. entity weight

10822.8 Da

Entity Connection

metal coordination 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	2:HEM1:FE	1:HIS39:NE2
2	metal coordination	sing	2:HEM1:FE	1:HIS63:NE2

Source organism

Rattus norvegicus

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete1

Sequence coverage: 90.4 %, Completeness: 69.3 %, Completeness (bb): 90.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	69.3 % (398 of 574)	69.3 % (398 of 574)
Backbone	90.1 % (172 of 191)	90.1 % (172 of 191)
Sidechain	59.0 % (226 of 383)	59.0 % (226 of 383)
Aromatic	54.5 % (24 of 44)	54.5 % (24 of 44)
Methyl	81.3 % (39 of 48)	81.3 % (39 of 48)

1. CYTOCHROME B5

DKDVKYYTLE EIQKHKDSKS TWVILHHKVY DLTKFLEEHP GGEEVLREQA GGDATENFED VGHSTDVREL SKTYIIGELH PDDRSKIAKP SETL

Show sample condition

Sample

Temperature 313 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	CYTOCHROME B5			2 mM
2	phosphate buffer			1 mM
3	sodium dithionate			0.0 ~ 0.0 mM
4	TSP			0.05 mM
5	H2O			90 %
6	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 9.6 %, Completeness: 37.9 %, Completeness (bb): 49.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	37.9 % (435 of 1148)	37.9 % (435 of 1148)
Backbone	49.5 % (189 of 382)	49.5 % (189 of 382)
Sidechain	32.1 % (246 of 766)	32.1 % (246 of 766)
Aromatic	29.5 % (26 of 88)	29.5 % (26 of 88)
Methyl	40.6 % (39 of 96)	40.6 % (39 of 96)

1. CYTOCHROME B5

DKDVKYYTLE EIQKHKDSKS TWVILHHKVY DLTKFLEEHP GGEEVLREQA GGDATENFED VGHSTDVREL SKTYIIGELH PDDRSKIAKP SETL

Show sample condition

Sample

Temperature 313 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	CYTOCHROME B5			2 mM
2	phosphate buffer			1 mM
3	sodium dithionate			0.0 ~ 0.0 mM
4	TSP			0.05 mM
5	H2O			90 %
6	D2O			10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1JEX, Strand ID: A Detail

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Coupling constant

66 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 313 K, pH 7.0 Detail

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Temperature 313 K, pH 7.0

List #1 J-values_set_1, Field strength (¹H) 600 MHz

Release date

2003-06-01

Citation

Mutagenic modulation of the entropy change on oxidation of cytochrome B5: an analysis of the contribution of conformational entropy
Shahzad, N., Dangi, B., Blankman, J.I., Guiles, R.D.

Related entities 1. CYTOCHROME B5, : 1 : 17 : 224 entities Detail

Interaction partners 1. CYTOCHROME B5, : 1 interactors Detail

Experiments performed 3 experiments Detail