BMRB: 6921

Backbone and side chain chemical shift assignments for hydrophilic domain of human cytochrome b5

Authors

Nunez, M., Truan, G., Van Heijennort, C.

Assembly

human cytochrome b5 with oxydized heme

Entity

1. cytb5 (polymer, Thiol state: not present), 107 monomers, 12146.15 Da Detail

AEQSDEAVKY YTLEEIQKHN HSKSTWLILH HKVYDLTKFL EEHPGGEEVL REQAGGDATE NFEDVGHSTD AREMSKTFII GELHPDDRPK LNKPPETLIT TIDSSSS

2. HEM (non-polymer), 616.487 Da

Total weight

12762.638 Da

Max. entity weight

12146.15 Da

Entity Connection

metal coordination 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:HIS43:NE2	2:HEM1:FE
2	metal coordination	sing	1:HIS67:NE2	2:HEM1:FE

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.3 %, Completeness: 94.5 %, Completeness (bb): 94.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.5 % (1163 of 1231)	94.1 % (602 of 640)	95.0 % (458 of 482)	94.5 % (103 of 109)
Backbone	94.9 % (600 of 632)	94.9 % (204 of 215)	95.2 % (300 of 315)	94.1 % (96 of 102)
Sidechain	94.3 % (660 of 700)	93.6 % (398 of 425)	95.1 % (255 of 268)	100.0 % (7 of 7)
Aromatic	85.1 % (80 of 94)	85.1 % (40 of 47)	84.8 % (39 of 46)	100.0 % (1 of 1)
Methyl	100.0 % (104 of 104)	100.0 % (52 of 52)	100.0 % (52 of 52)

1. cytb5

AEQSDEAVKY YTLEEIQKHN HSKSTWLILH HKVYDLTKFL EEHPGGEEVL REQAGGDATE NFEDVGHSTD AREMSKTFII GELHPDDRPK LNKPPETLIT TIDSSSS

Show sample condition

Sample

Temperature 308 (±0.05) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	cytb5	[U-99% 13C; U-99% 15N]	protein	1 mM

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LACS Plot; CA

Referencing offset: -0.34 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
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.34 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
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 2 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: -0.2 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
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2I96, Strand ID: A Detail

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Release date

2009-05-26

Citation

1H, 13C and 15N backbone resonances assignment of the hydrophilic domain of human cytochrome b5
Nunez, M., Truan, G., Van Heijennort, C.
J. Biomol. NMR

Related entities 1. cytb5, : 1 : 2 : 98 entities Detail

Interaction partners 1. cytb5, : 4 interactors Detail

Experiments performed 10 experiments Detail