BMRB: 6965

1H and 15N assignment of the soluble domain of the ba3 oxidase subunit II of Thermus thermophilus in the oxidized state

Authors

Muresanu, L., Pristovsek, P., Loehr, F., Maneg, O., Mukrasch, M.D., Rueterjans, H., Ludwig, B., Luecke, C.

Assembly

CuA domain

Entity

1. CuA domain (polymer, Thiol state: all other bound), 136 monomers, 14934.81 Da Detail

MAYTLATHTA GVIPAGKLER VDPTTVRQEG PWADPAQAVV QTGPNQYTVY VLAFAFGYQP NPIEVPQGAE IVFKITSPDV IHGFHVEGTN INVEVLPGEV STVRYTFKRP GEYRIICNQY CGLGHQNMFG TIVVKE

2. CU1 (non-polymer), 63.546 Da
3. CU (non-polymer), 63.546 Da

Total weight

15061.901 Da

Max. entity weight

14934.81 Da

Entity Connection

na 8 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:HIS125:ND1	2:CU11:CU
2	na	sing	1:GLN119:OE1	2:CU11:CU
3	na	sing	1:CYS117:SG	2:CU11:CU
4	na	sing	1:CYS121:SG	2:CU11:CU
5	na	sing	1:HIS82:ND1	3:CU1:CU
6	na	sing	1:MET128:SD	3:CU1:CU
7	na	sing	1:CYS117:SG	3:CU1:CU
8	na	sing	1:CYS121:SG	3:CU1:CU

Source organism

Thermus thermophilus

Exptl. method

NMR

Refine. method

docking calculations

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 88.7 %, Completeness (bb): 92.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	88.7 % (836 of 942)	89.5 % (718 of 802)	84.3 % (118 of 140)
Backbone	92.7 % (370 of 399)	94.5 % (259 of 274)	88.8 % (111 of 125)
Sidechain	85.8 % (466 of 543)	86.9 % (459 of 528)	46.7 % (7 of 15)
Aromatic	79.5 % (58 of 73)	79.2 % (57 of 72)	100.0 % (1 of 1)
Methyl	94.0 % (79 of 84)	94.0 % (79 of 84)

1. CuA domain

MAYTLATHTA GVIPAGKLER VDPTTVRQEG PWADPAQAVV QTGPNQYTVY VLAFAFGYQP NPIEVPQGAE IVFKITSPDV IHGFHVEGTN INVEVLPGEV STVRYTFKRP GEYRIICNQY CGLGHQNMFG TIVVKE

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CuA domain	[U-98% 15N]		1.2 mM
2	potassium phosphate			20 mM
3	potassium hexacyanoferrate (III)			5 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
4	CuA domain			2.0 mM
5	potassium phosphate			20 mM
6	potassium hexacyanoferrate (III)			5 mM

Hide sample codition

Protein Blocks Logo

Calculated from 3 models in PDB: 2FWL, Strand ID: B Detail

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Release date

2006-04-25

Citation 1

The electron transfer complex between cytochrome c552 and the CuA domain of the Thermus thermophilus ba3 oxidase. A combined NMR and computational approach
Muresanu, L., Pristovsek, P., Loehr, F., Maneg, O., Mukrasch, M.D., Rueterjans, H., Ludwig, B., Luecke, C.
J. Biol. Chem. (2006), 281, 14503-14513, PubMed 16554303 , DOI 10.1074/jbc.M601108200 , Abstract

Show more 1 citaion

Citation 2

Water-soluble, recombinant CuA-domain of the cytochrome ba3 subunit II from Thermus thermophilus
Slutter, C.E., Sanders, D., Wittung, P., Malmstrom, B.G., Aasa, R., Richards, J.H., Gray, H.B., Fee, J.A.
Biochemistry (1996), 35, 3387-3395, PubMed 8639488 , DOI 10.1021/bi9525839 , Abstract

Hide non-primary 1 citaion

Related entities 1. CuA domain, : 1 : 41 : 3 : 37 entities Detail

Interaction partners 1. CuA domain, : 1 interactors Detail

Experiments performed 5 experiments Detail