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Found 1 Document (1.008 seconds)

BMRB: 5625

1A2I

Sequential assignment of the ferricytochrome c3 from Desulfovibrio vulgaris Hildenborough

Authors

Messias, A.C., Aguiar, A.P., Turner, D.L., Xavier, A.V.

Assembly

cytochrome c3

Entity

1. cytochrome c3 (polymer, Thiol state: all other bound), 107 monomers, 11657.21 Da Detail

APKAPADGLK MEATKQPVVF NHSTHKSVKC GDCHHPVNGK EDYRKCGTAG CHDSMDKKDK SAKGYYHVMH DKNTKFKSCV GCHVEVAGAD AAKKKDLTGC KKSKCHE

2. HEC (non-polymer), 618.503 × 4 Da

Total weight

14131.222 Da

Max. entity weight

11657.21 Da

Entity Connection

na 8, thioether 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS30:SG	2:HEC1:CAC
2	thioether	sing	1:CYS33:SG	2:HEC1:CAC
3	thioether	sing	1:CYS46:SG	2:HEC1:CAC
4	thioether	sing	1:CYS51:SG	2:HEC1:CAC
5	thioether	sing	1:CYS79:SG	2:HEC1:CAC
6	thioether	sing	1:CYS82:SG	2:HEC1:CAC
7	thioether	sing	1:CYS100:SG	2:HEC1:CAC
8	thioether	sing	1:CYS105:SG	2:HEC1:CAC
9	na	sing	1:HIS22:NE2	2:HEC1:FE3+
10	na	sing	1:HIS34:NE2	2:HEC1:FE3+
11	na	sing	1:HIS35:NE2	2:HEC1:FE3+
12	na	sing	1:HIS52:NE2	2:HEC1:FE3+
13	na	sing	1:HIS25:NE2	2:HEC1:FE3+
14	na	sing	1:HIS83:NE2	2:HEC1:FE3+
15	na	sing	1:HIS70:NE2	2:HEC1:FE3+
16	na	sing	1:HIS106:NE2	2:HEC1:FE3+

Source organism

Desulfovibrio vulgaris

Exptl. method

NMR

Refine. method

RESTRAINED MOLECULAR DYNAMICS WITH SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 93.8 %, Completeness (bb): 99.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	93.8 % (588 of 627)	93.8 % (588 of 627)
Backbone	99.5 % (218 of 219)	99.5 % (218 of 219)
Sidechain	90.7 % (370 of 408)	90.7 % (370 of 408)
Aromatic	52.5 % (21 of 40)	52.5 % (21 of 40)
Methyl	100.0 % (35 of 35)	100.0 % (35 of 35)

1. cytochrome c3

APKAPADGLK MEATKQPVVF NHSTHKSVKC GDCHHPVNGK EDYRKCGTAG CHDSMDKKDK SAKGYYHVMH DKNTKFKSCV GCHVEVAGAD AAKKKDLTGC KKSKCHE

Show sample condition

Sample #1

Temperature 303 (±1) K

#	Name	Concentration
1	cytochrome c3	2.7 mM
2	ampicillin	127 uM
3	kanamicin	78 uM
4	chloramphenicol	141 uM
5	H2O	92 %
6	D2O	8 %

Sample #2

Temperature 303 (±1) K

#	Name	Concentration
7	cytochrome c3	2.7 mM
8	ampicillin	127 uM
9	kanamicin	78 uM
10	chloramphenicol	141 uM
11	D2O	100 %

Chem. Shift Complete2

Sequence coverage: 15.0 %, Completeness: 51.9 %, Completeness (bb): 55.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	51.9 % (651 of 1254)	51.9 % (651 of 1254)
Backbone	55.7 % (244 of 438)	55.7 % (244 of 438)
Sidechain	49.9 % (407 of 816)	49.9 % (407 of 816)
Aromatic	26.2 % (21 of 80)	26.2 % (21 of 80)
Methyl	55.7 % (39 of 70)	55.7 % (39 of 70)

1. cytochrome c3

APKAPADGLK MEATKQPVVF NHSTHKSVKC GDCHHPVNGK EDYRKCGTAG CHDSMDKKDK SAKGYYHVMH DKNTKFKSCV GCHVEVAGAD AAKKKDLTGC KKSKCHE

Show sample condition

Sample #1

Temperature 303 (±1) K

#	Name	Concentration
1	cytochrome c3	2.7 mM
2	ampicillin	127 uM
3	kanamicin	78 uM
4	chloramphenicol	141 uM
5	H2O	92 %
6	D2O	8 %

Sample #2

Temperature 303 (±1) K

#	Name	Concentration
7	cytochrome c3	2.7 mM
8	ampicillin	127 uM
9	kanamicin	78 uM
10	chloramphenicol	141 uM
11	D2O	100 %

Chem. Shift Complete3

Sequence coverage: 11.2 %, Completeness: 36.2 %, Completeness (bb): 40.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	36.2 % (681 of 1881)	36.2 % (681 of 1881)
Backbone	40.0 % (263 of 657)	40.0 % (263 of 657)
Sidechain	34.2 % (418 of 1224)	34.2 % (418 of 1224)
Aromatic	17.5 % (21 of 120)	17.5 % (21 of 120)
Methyl	41.9 % (44 of 105)	41.9 % (44 of 105)

1. cytochrome c3

APKAPADGLK MEATKQPVVF NHSTHKSVKC GDCHHPVNGK EDYRKCGTAG CHDSMDKKDK SAKGYYHVMH DKNTKFKSCV GCHVEVAGAD AAKKKDLTGC KKSKCHE

Show sample condition

Sample #1

Temperature 303 (±1) K

#	Name	Concentration
1	cytochrome c3	2.7 mM
2	ampicillin	127 uM
3	kanamicin	78 uM
4	chloramphenicol	141 uM
5	H2O	92 %
6	D2O	8 %

Sample #2

Temperature 303 (±1) K

#	Name	Concentration
7	cytochrome c3	2.7 mM
8	ampicillin	127 uM
9	kanamicin	78 uM
10	chloramphenicol	141 uM
11	D2O	100 %

Chem. Shift Complete4

Sequence coverage: 11.2 %, Completeness: 29.1 %, Completeness (bb): 32.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	29.1 % (729 of 2508)	29.1 % (729 of 2508)
Backbone	32.2 % (282 of 876)	32.2 % (282 of 876)
Sidechain	27.4 % (447 of 1632)	27.4 % (447 of 1632)
Aromatic	13.1 % (21 of 160)	13.1 % (21 of 160)
Methyl	31.4 % (44 of 140)	31.4 % (44 of 140)

1. cytochrome c3

APKAPADGLK MEATKQPVVF NHSTHKSVKC GDCHHPVNGK EDYRKCGTAG CHDSMDKKDK SAKGYYHVMH DKNTKFKSCV GCHVEVAGAD AAKKKDLTGC KKSKCHE

Show sample condition

Sample #1

Temperature 303 (±1) K

#	Name	Concentration
1	cytochrome c3	2.7 mM
2	ampicillin	127 uM
3	kanamicin	78 uM
4	chloramphenicol	141 uM
5	H2O	92 %
6	D2O	8 %

Sample #2

Temperature 303 (±1) K

#	Name	Concentration
7	cytochrome c3	2.7 mM
8	ampicillin	127 uM
9	kanamicin	78 uM
10	chloramphenicol	141 uM
11	D2O	100 %

Chem. Shift Complete5

Sequence coverage: 13.1 %, Completeness: 24.5 %, Completeness (bb): 27.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	24.5 % (767 of 3135)	24.5 % (767 of 3135)
Backbone	27.7 % (303 of 1095)	27.7 % (303 of 1095)
Sidechain	22.7 % (464 of 2040)	22.7 % (464 of 2040)
Aromatic	10.5 % (21 of 200)	10.5 % (21 of 200)
Methyl	28.0 % (49 of 175)	28.0 % (49 of 175)

1. cytochrome c3

APKAPADGLK MEATKQPVVF NHSTHKSVKC GDCHHPVNGK EDYRKCGTAG CHDSMDKKDK SAKGYYHVMH DKNTKFKSCV GCHVEVAGAD AAKKKDLTGC KKSKCHE

Show sample condition

Sample #1

Temperature 303 (±1) K

#	Name	Concentration
1	cytochrome c3	2.7 mM
2	ampicillin	127 uM
3	kanamicin	78 uM
4	chloramphenicol	141 uM
5	H2O	92 %
6	D2O	8 %

Sample #2

Temperature 303 (±1) K

#	Name	Concentration
7	cytochrome c3	2.7 mM
8	ampicillin	127 uM
9	kanamicin	78 uM
10	chloramphenicol	141 uM
11	D2O	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 1A2I, Strand ID: A Detail

Release date

2006-01-23

Citation

Solution structures of tetrahaem ferricytochrome c3 from Desulfovibrio vulgaris (Hildenborough) and its K45Q mutant: the molecular basis of cooperativity
Messiasa, A.C., Aguiara, A.P., Brennana, L., Salgueiroa, C.A., Saraivaa, L.M., Xaviera, A.V., Turner, D.L.
Biochim. Biophys. Acta (2006), 1757, 143-153, PubMed 16527248 , DOI 10.1016/j.bbabio.2006.01.007 , Abstract

Related entities 1. cytochrome c3, : 1 : 5 : 1 : 33 entities Detail

Experiments performed 3 experiments Detail

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Found 1 Document (1.008 seconds)

BMRB: 5625

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Related entities 1. cytochrome c3, : 1 : 5 : 1 : 33 entities Detail

Experiments performed 3 experiments Detail

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