BMRB: 5304

Solution Structure of a Mono-heme Ferrocytochrome c from Shewanella putrefaciens and Structural Analysis of Sequence-similar Proteins: Functional Implications

Authors

Bartalesi, I., Bertini, I., Hajieva, P., Rosato, A., Vasos, P.R.

Assembly

mono-heme c-type cytochrome ScyA

Entity

1. ScyA (polymer, Thiol state: free and disulfide bound), 81 monomers, 8589.677 Da Detail

ADLQDAEAIY NKACTVCHSM GVAGAPKSHN TADWEPRLAK GVDNLVKSVK TGLNAMPPGG MCTDCTDEDY KAAIEFMSKA K

2. HEM (non-polymer), 616.487 Da

Total weight

9206.164 Da

Max. entity weight

8589.677 Da

Entity Connection

na 2, disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS62:SG	1:CYS65:SG
2	na	sing	1:CYS14:SG	2:HEM1:FE
3	na	sing	1:CYS17:SG	2:HEM1:FE

Source organism

Shewanella putrefaciens

Exptl. method

NMR

Refine. method

simulated annealing in the dihedral angle space in dyana in 15000 steps; 30 structures with the lowest target function out of a total

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.8 %, Completeness: 95.7 %, Completeness (bb): 98.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	95.7 % (509 of 532)	95.1 % (427 of 449)	98.8 % (82 of 83)
Backbone	98.8 % (238 of 241)	98.8 % (162 of 164)	98.7 % (76 of 77)
Sidechain	93.1 % (271 of 291)	93.0 % (265 of 285)	100.0 % (6 of 6)
Aromatic	87.5 % (21 of 24)	87.0 % (20 of 23)	100.0 % (1 of 1)
Methyl	97.4 % (38 of 39)	97.4 % (38 of 39)

1. ScyA

ADLQDAEAIY NKACTVCHSM GVAGAPKSHN TADWEPRLAK GVDNLVKSVK TGLNAMPPGG MCTDCTDEDY KAAIEFMSKA K

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	ScyA	[U-15N]		1.5 mM
2	PROTOPORPHYRIN IX CONTAINING FE			1.5 mM
3	phosphate buffer			100 mM
4	H2O			90 %
5	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 13.6 %, Completeness: 51.5 %, Completeness (bb): 55.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	51.5 % (548 of 1064)	50.8 % (456 of 898)	55.4 % (92 of 166)
Backbone	55.0 % (265 of 482)	54.6 % (179 of 328)	55.8 % (86 of 154)
Sidechain	48.6 % (283 of 582)	48.6 % (277 of 570)	50.0 % (6 of 12)
Aromatic	47.9 % (23 of 48)	47.8 % (22 of 46)	50.0 % (1 of 2)
Methyl	52.6 % (41 of 78)	52.6 % (41 of 78)

1. ScyA

ADLQDAEAIY NKACTVCHSM GVAGAPKSHN TADWEPRLAK GVDNLVKSVK TGLNAMPPGG MCTDCTDEDY KAAIEFMSKA K

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	ScyA	[U-15N]		1.5 mM
2	PROTOPORPHYRIN IX CONTAINING FE			1.5 mM
3	phosphate buffer			100 mM
4	H2O			90 %
5	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 30 models in PDB: 1KX7, Strand ID: A Detail

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Release date

2002-06-12

Citation

Solution structure of a monoheme ferrocytochrome c from Shewanella putrefaciens and structural analysis of sequence-similar proteins: functional implications
Bartalesi, I., Bertini, I., Hajieva, P., Rosato, A., Vasos, P.R.
Biochemistry (2002), 41, 5112-5119, PubMed 11955059 , DOI 10.1021/bi015984z , Abstract

Related entities 1. ScyA, : 1 : 1 : 52 entities Detail

Experiments performed 7 experiments Detail