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BMRB: 16741

2GC4

Backbone assignments for Paracoccus denitrificans amicyanin-CuI.

Authors

Ubbink, M.

Assembly

holo-amicyanin

Entity

1. amicyanin (polymer, Thiol state: all other bound), 106 monomers, 11547.09 Da Detail

GDKATIPSES PFAAAEVADG AIVVDIAKMK YETPELHVKV GDTVTWINRE AMPHNVHFVA GVLGEAALKG PMMKKEQAYS LTFTEAGTYD YHCTPHPFMR GKVVVE

2. CU1 (non-polymer), 63.546 Da

Total weight

11610.636 Da

Max. entity weight

11547.09 Da

Source organism

Paracoccus denitrificans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.3 %, Completeness: 43.4 %, Completeness (bb): 79.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.4 % (518 of 1193)	21.9 % (134 of 611)	59.9 % (287 of 479)	94.2 % (97 of 103)
Backbone	79.9 % (497 of 622)	53.5 % (114 of 213)	92.3 % (286 of 310)	98.0 % (97 of 99)
Sidechain	16.9 % (113 of 669)	5.3 % (21 of 398)	34.5 % (92 of 267)	0.0 % (0 of 4)
Aromatic	1.9 % (2 of 104)	3.8 % (2 of 52)	0.0 % (0 of 51)	0.0 % (0 of 1)
Methyl	13.1 % (16 of 122)	6.6 % (4 of 61)	19.7 % (12 of 61)

1. amicyanin

GDKATIPSES PFAAAEVADG AIVVDIAKMK YETPELHVKV GDTVTWINRE AMPHNVHFVA GVLGEAALKG PMMKKEQAYS LTFTEAGTYD YHCTPHPFMR GKVVVE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 300 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	amicyanin	[U-15N]		1.2 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.09 ppm, Outliers: 5 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.09 ppm, Outliers: 5 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 1.67 ppm, Outliers: 3 Detail

Release date

2010-10-04

Citation

Amicyanin transfers electrons from methylamine dehydrogenase to cytochrome c-551i via a ping-pong mechanism, not a ternary complex
Meschi, F., Wiertz, F., Klauss, L., Cavalieri, C., Blok, A., Ludwig, B., Heering, H.A., Merli, A., Rossi, G., Ubbink, M.
J. Am. Chem. Soc. (2010), 132, 14537-14545, PubMed 20873742 , DOI 10.1021/ja105498m , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16740 released on 2010-10-04
Title Amide assignments for Paracoccus denitrificans amicyanin-ZnII.

Related entities 1. amicyanin, : 1 : 31 : 34 entities Detail

Interaction partners 1. amicyanin, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 5 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16741_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr16741_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	479		95.3 (chain: 1, length: 106)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 106, Sequence coverage: 95.3%
- Total number of assignments
  - ¹H chemical shifts: 97
  - ¹³C chemical shifts: 285
  - ¹⁵N chemical shifts: 97
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	611	97	15.9
¹³C chemical shifts	479	285	59.5
¹⁵N chemical shifts	105	97	92.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	213	97	45.5
¹³C chemical shifts	212	194	91.5
¹⁵N chemical shifts	99	97	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	398	0	0.0
¹³C chemical shifts	267	91	34.1
¹⁵N chemical shifts	6	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	0	0.0
¹³C chemical shifts	66	12	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	0	0.0
¹³C chemical shifts	51	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords electron transfer, kinetics

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Found 1 Document (0.58 seconds)

BMRB: 16741

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. amicyanin, : 1 : 31 : 34 entities Detail

Interaction partners 1. amicyanin, : 1 interactors Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail