BMRB: 16443

NMR Solution structures of fully oxidised cytochrome c3 from Desulfovibrio desulfuricans ATCC 27774

Authors

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

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 ox (non-polymer), na × 4 Da

Formula 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:HEM_ox1:CAB
2	thioether	sing	1:CYS33:SG	2:HEM_ox1:CAC
3	thioether	sing	1:CYS46:SG	2:HEM_ox1:CAB
4	thioether	sing	1:CYS51:SG	2:HEM_ox1:CAC
5	thioether	sing	1:CYS79:SG	2:HEM_ox1:CAB
6	thioether	sing	1:CYS82:SG	2:HEM_ox1:CAC
7	thioether	sing	1:CYS100:SG	2:HEM_ox1:CAB
8	thioether	sing	1:CYS105:SG	2:HEM_ox1:CAC
9	na	sing	1:HIS22:NE2	2:HEM_ox1:FE
10	na	sing	1:HIS34:NE2	2:HEM_ox1:FE
11	na	sing	1:HIS35:NE2	2:HEM_ox1:FE
12	na	sing	1:HIS52:NE2	2:HEM_ox1:FE
13	na	sing	1:HIS25:NE2	2:HEM_ox1:FE
14	na	sing	1:HIS83:NE2	2:HEM_ox1:FE
15	na	sing	1:HIS69:NE2	2:HEM_ox1:FE
16	na	sing	1:HIS106:NE2	2:HEM_ox1:FE

Source organism

Desulfovibrio desulfuricans

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.1 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	89.1 % (556 of 624)	89.1 % (556 of 624)
Backbone	100.0 % (214 of 214)	100.0 % (214 of 214)
Sidechain	83.4 % (342 of 410)	83.4 % (342 of 410)
Aromatic	31.4 % (11 of 35)	31.4 % (11 of 35)
Methyl	98.0 % (49 of 50)	98.0 % (49 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 4.2, Details Fully oxidized protein

#	Name	Isotope labeling	Type	Concentration
1	cytochrome c3	natural abundance		1.8 ~ 2.0 mM
2	sodium chloride	natural abundance		100 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KMY, 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 3 experiments Detail