BMRB: 5172

1H and 15N Chemical Shift Assignments of oxidized cytochrome c553 from B. pasteurii

Authors

Banci, L., Bertini, I., Ciurli, S., Dikiy, A., Dittmer, J., Rosato, A., Sciara, G., Thompsett, A.R.

Assembly

Oxidized cytochrome c553 from Bacillus pasteurii

Entity

1. Bacillus pasteurii cytochrome (polymer, Thiol state: all other bound), 71 monomers, 7109.888 Da Detail

VDAEAVVQQK CISCHGGDLT GASAPAIDKA GANYSEEEIL DIILNGQGGM PGGIAKGAEA EAVAAWLAEK K

2. PROTOPORPHYRIN IX CONTAINING FE (non-polymer), 1 monomers, na Da

Formula weight

7109.888 Da

Entity Connection

covalent 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:CYS11:SG	2:HEM_ox1:CAB
2	covalent	sing	1:CYS14:SG	2:HEM_ox1:CAC
3	covalent	sing	1:HIS15:NE2	2:HEM_ox1:FE
4	covalent	sing	1:MET50:SD	2:HEM_ox1:FE

Source organism

Sporosarcina pasteurii

Exptl. method

NMR

Refine. method

torsion angle dynamics,

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 95.6 %, Completeness (bb): 97.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	95.6 % (430 of 450)	95.2 % (357 of 375)	97.3 % (73 of 75)
Backbone	97.7 % (214 of 219)	98.0 % (147 of 150)	97.1 % (67 of 69)
Sidechain	93.5 % (216 of 231)	93.3 % (210 of 225)	100.0 % (6 of 6)
Aromatic	84.6 % (11 of 13)	83.3 % (10 of 12)	100.0 % (1 of 1)
Methyl	97.7 % (42 of 43)	97.7 % (42 of 43)

1. Bacillus pasteurii cytochrome

VDAEAVVQQK CISCHGGDLT GASAPAIDKA GANYSEEEIL DIILNGQGGM PGGIAKGAEA EAVAAWLAEK K

Show sample condition

Sample

Pressure 1 atm, Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Bacillus pasteurii cytochrome	[U-98% 15N]		1.0 ~ 1.5 mM
2	phosphate buffer			10 mM

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Chem. Shift Complete2

Sequence coverage: 14.1 %, Completeness: 52.4 %, Completeness (bb): 54.3 % Detail

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• BMRB/XML (partial)
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Polymer type: polypeptide(L)

	Total	1H	15N
All	52.4 % (472 of 900)	52.3 % (392 of 750)	53.3 % (80 of 150)
Backbone	54.3 % (238 of 438)	54.7 % (164 of 300)	53.6 % (74 of 138)
Sidechain	50.6 % (234 of 462)	50.7 % (228 of 450)	50.0 % (6 of 12)
Aromatic	42.3 % (11 of 26)	41.7 % (10 of 24)	50.0 % (1 of 2)
Methyl	54.7 % (47 of 86)	54.7 % (47 of 86)

1. Bacillus pasteurii cytochrome

VDAEAVVQQK CISCHGGDLT GASAPAIDKA GANYSEEEIL DIILNGQGGM PGGIAKGAEA EAVAAWLAEK K

Show sample condition

Sample

Pressure 1 atm, Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Bacillus pasteurii cytochrome	[U-98% 15N]		1.0 ~ 1.5 mM
2	phosphate buffer			10 mM

Hide sample codition

Protein Blocks Logo

Calculated from 30 models in PDB: 1K3G, Strand ID: A Detail

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Release date

2002-05-05

Citation

NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria
Banci, L., Bertini, I., Ciurli, S., Dikiy, A., Dittmer, J., Rosato, A., Sciara, G., Thompsett, A.R.
Chembiochem. (2002), 3, 299-310, PubMed 11933230 , DOI: , Abstract

Related entities 1. Bacillus pasteurii cytochrome, : 1 : 5 : 14 entities Detail

Experiments performed 5 experiments Detail