BMRB: 5337

Complete assignments of 1H, 13C and 15N Chemical Shifts for Oxidized Human Adrenodoxin (4-114)

Authors

Kostic, M., Pochapsky, S.S., Obenauer, J., Mo, H., Pagani, G.M., Pejchal, R., Pochapsky, T.C.

Assembly

human adrenodoxin

Entity

1. human adrenodoxin (polymer, Thiol state: free and other bound), 111 monomers, 12213.56 × 2 Da Detail

EDKITVHFIN RDGETLTTKG KVGDSLLDVV VENNLDIDGF GACDGTLACS TCHLIFEDHI YEKLDAITDE ENDMLDLAYG LTDRSRLGCQ ICLTKSMDNM TVRVPETVAD A

2. FES (non-polymer), 175.820 × 2 Da

Total weight

24778.76 Da

Max. entity weight

12213.56 Da

Entity Connection

na 8 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	2:FES1:FE1	1:CYS46:SG
2	na	sing	2:FES1:FE1	1:CYS52:SG
3	na	sing	2:FES1:FE2	1:CYS55:SG
4	na	sing	2:FES1:FE2	1:CYS92:SG
5	na	sing	2:FES1:FE1	1:CYS46:SG
6	na	sing	2:FES1:FE1	1:CYS52:SG
7	na	sing	2:FES1:FE2	1:CYS55:SG
8	na	sing	2:FES1:FE2	1:CYS92:SG

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.4 %, Completeness: 78.5 %, Completeness (bb): 85.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	78.5 % (950 of 1210)	76.6 % (472 of 616)	80.1 % (383 of 478)	81.9 % (95 of 116)
Backbone	85.2 % (566 of 664)	84.3 % (193 of 229)	85.8 % (279 of 325)	85.5 % (94 of 110)
Sidechain	73.2 % (475 of 649)	72.1 % (279 of 387)	76.2 % (195 of 256)	16.7 % (1 of 6)
Aromatic	51.7 % (30 of 58)	55.2 % (16 of 29)	48.3 % (14 of 29)
Methyl	75.4 % (107 of 142)	80.3 % (57 of 71)	70.4 % (50 of 71)

1. human adrenodoxin

EDKITVHFIN RDGETLTTKG KVGDSLLDVV VENNLDIDGF GACDGTLACS TCHLIFEDHI YEKLDAITDE ENDMLDLAYG LTDRSRLGCQ ICLTKSMDNM TVRVPETVAD A

Show sample condition

Sample

Temperature 290 (±0.5) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human adrenodoxin	[U-90% 13C; U-90% 15N]		1.5 mM

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LACS Plot; CA

Referencing offset: -0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: 0.08 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: -0.17 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Release date

2002-05-07

Citation

Comparison of functional domains in vertebrate-type ferredoxins
Kostic, M., Pochapsky, S.S., Obenauer, J., Mo, H., Pagani, G.M., Pejchal, R., Pochapsky, T.C.
Biochemistry (2002), 41, 5978-5989, PubMed 11993992 , DOI 10.1021/bi0200256 , Abstract

Related entities 1. human adrenodoxin, : 1 : 6 : 117 entities Detail

Interaction partners 1. human adrenodoxin, : 9 interactors Detail

Experiments performed 8 experiments Detail