BMRBj - BMREntryMaster

Found 1 Document (0.801 seconds)

BMRB: 18254

1JZH

1H and 15N resonance assignments for Pseudomonas aeruginosa apo-azurin

Authors

Zaballa, M., Abriata, L., Donaire, A., Vila, A.

Assembly

apo-azurin

Entity

1. apo-azurin (polymer, Thiol state: free and disulfide bound), 128 monomers, 13945.66 Da Detail

AECSVDIQGN DQMQFNTNAI TVDKSCKQFT VNLSHPGNLP KNVMGHNWVL STAADMQGVV TDGMASGLDK DYLKPDDSRV IAHTKLIGSG EKDSVTFDVS KLKEGEQYMF FCTFPGHSAL MKGTLTLK

Formula weight

13945.66 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS26:SG

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.9 %, Completeness: 26.7 %, Completeness (bb): 57.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	26.7 % (236 of 883)	17.0 % (127 of 745)	79.0 % (109 of 138)
Backbone	57.4 % (222 of 387)	43.0 % (113 of 263)	87.9 % (109 of 124)
Sidechain	2.8 % (14 of 496)	2.9 % (14 of 482)	0.0 % (0 of 14)
Aromatic	7.5 % (4 of 53)	7.7 % (4 of 52)	0.0 % (0 of 1)
Methyl	0.0 % (0 of 65)	0.0 % (0 of 65)

1. apo-azurin

AECSVDIQGN DQMQFNTNAI TVDKSCKQFT VNLSHPGNLP KNVMGHNWVL STAADMQGVV TDGMASGLDK DYLKPDDSRV IAHTKLIGSG EKDSVTFDVS KLKEGEQYMF FCTFPGHSAL MKGTLTLK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	apoAzurin	[U-100% 13C; U-100% 15N]	1 mM
2	DTT	natural abundance	2 mM
3	potassium phosphate	natural abundance	100 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Release date

2012-09-13

Citation

Flexibility of the metal-binding region in apo-cupredoxins
Zaballa, M., Abriata, L.A., Donaire, A., Vila, A.J.
Proc. Natl. Acad. Sci. U. S. A. (2012), 109, 9254-9259, PubMed 22645370 , DOI 10.1073/pnas.1119460109 , Abstract

Related entities 1. apo-azurin, : 1 : 19 : 8 : 38 : 57 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr18254_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:3:CYS:SG	1:26:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr18254_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	214		83.6 (chain: 1, length: 128)
1	Chemical shift references	chemical_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 128, Sequence coverage: 83.6%
- Total number of assignments
  - ¹H chemical shifts: 107
  - ¹⁵N chemical shifts: 107
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

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Found 1 Document (0.801 seconds)

BMRB: 18254

Sample

Related entities 1. apo-azurin, : 1 : 19 : 8 : 38 : 57 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

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Sample

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	745	107	14.4
¹⁵N chemical shifts	139	107	77.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	263	107	40.7
¹⁵N chemical shifts	124	107	86.3