BMRB: 16674

NMR Solution structures of fully reduced cytochrome c3 from Desulfovibrio desulfuricans ATCC 2777

Authors

Turner, D.L., Paixao, V.B.

Assembly

cytochrome c3

Entity

1. cytochrome c3 (polymer, Thiol state: all other bound), 107 monomers, 11592.25 Da Detail

APAVPDKPVE VKGSQKTVMF PHAPHEKVEC VTCHHLVDGK ESYAKCGSSG CHDDLTAKKG EKSLYYVVHA RGELKHTSCL ACHSKVVAEK PELKKDLTGC AKSKCHP

2. HEM (non-polymer), 616.487 × 4 Da

Total weight

14058.198 Da

Max. entity weight

11592.25 Da

Entity Connection

na 8, thioether 8 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS30:SG	2:HEM1:CAB
2	thioether	sing	1:CYS33:SG	2:HEM1:CAC
3	thioether	sing	1:CYS46:SG	2:HEM1:CAB
4	thioether	sing	1:CYS51:SG	2:HEM1:CAC
5	thioether	sing	1:CYS79:SG	2:HEM1:CAB
6	thioether	sing	1:CYS82:SG	2:HEM1:CAC
7	thioether	sing	1:CYS100:SG	2:HEM1:CAB
8	thioether	sing	1:CYS105:SG	2:HEM1:CAC
9	na	sing	1:HIS22:NE2	2:HEM1:FE
10	na	sing	1:HIS34:NE2	2:HEM1:FE
11	na	sing	1:HIS35:NE2	2:HEM1:FE
12	na	sing	1:HIS52:NE2	2:HEM1:FE
13	na	sing	1:HIS25:NE2	2:HEM1:FE
14	na	sing	1:HIS83:NE2	2:HEM1:FE
15	na	sing	1:HIS69:NE2	2:HEM1:FE
16	na	sing	1:HIS106:NE2	2:HEM1:FE

Source organism

Desulfovibrio desulfuricans

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 96.3 %, Completeness: 73.2 %, Completeness (bb): 94.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	73.2 % (457 of 624)	73.2 % (457 of 624)
Backbone	94.4 % (202 of 214)	94.4 % (202 of 214)
Sidechain	62.2 % (255 of 410)	62.2 % (255 of 410)
Aromatic	82.9 % (29 of 35)	82.9 % (29 of 35)
Methyl	92.0 % (46 of 50)	92.0 % (46 of 50)

1. cytochrome c3

APAVPDKPVE VKGSQKTVMF PHAPHEKVEC VTCHHLVDGK ESYAKCGSSG CHDDLTAKKG EKSLYYVVHA RGELKHTSCL ACHSKVVAEK PELKKDLTGC AKSKCHP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.46, Details fully reduced sample

#	Name	Isotope labeling	Type	Concentration
1	cytochrome c3	natural abundance		1.85 ~ 2.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KSU, Strand ID: A Detail

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Release date

2010-10-17

Citation

Redox linked conformational changes in cytochrome c3 from Desulfovibrio desulfuricans ATCC 27774
Paixao, V.B., Vis, H., Turner, D.L.
Biochemistry (2010), 49, 9620-9629, PubMed 20886839 , DOI 10.1021/bi101237w , Abstract

Related entities 1. cytochrome c3, : 1 : 5 : 1 : 38 entities Detail

Experiments performed 5 experiments Detail