BMRBj - BMREntryMaster

Found 1 Document (0.723 seconds)

BMRB: 19091

8BQF

Backbone 1H, 15N Chemical Shift Assignments for wild-type Escherichia coli Adenylate Kinase with 20mM ADP and Magnesium at 298K

Authors

Kerns, S.J., Kern, D.

Assembly

adenylate kinase with ADP

Entity

1. adenylate kinase wild type (polymer, Thiol state: all free), 214 monomers, 23585.72 Da Detail

MRIILLGAPG AGKGTQAQFI MEKYGIPQIS TGDMLRAAVK SGSELGKQAK DIMDAGKLVT DELVIALVKE RIAQEDCRNG FLLDGFPRTI PQADAMKEAG INVDYVLEFD VPDELIVDRI VGRRVHAPSG RVYHVKFNPP KVEGKDDVTG EELTTRKDDQ EETVRKRLVE YHQMTAPLIG YYSKEAEAGN TKYAKVDGTK PVAEVRADLE KILG

2. adenylate kinase with ADP, entity ADP (non-polymer), 427.201 Da
3. adenylate kinase with ADP, entity MG (non-polymer), 24.305 Da

Total weight

24037.227 Da

Max. entity weight

23585.72 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.2 %, Completeness: 25.2 %, Completeness (bb): 56.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	25.2 % (378 of 1498)	15.8 % (202 of 1282)	81.5 % (176 of 216)
Backbone	56.2 % (361 of 642)	42.2 % (185 of 438)	86.3 % (176 of 204)
Sidechain	2.0 % (17 of 856)	2.0 % (17 of 844)	0.0 % (0 of 12)
Aromatic	0.0 % (0 of 59)	0.0 % (0 of 59)
Methyl	4.7 % (6 of 128)	4.7 % (6 of 128)

1. adenylate kinase wild type

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	adenylate kinase	[U-13C; U-15N]	2 mM
2	ADP	natural abundance	20 mM
3	MG	natural abundance	20 mM
4	D2O	natural abundance	5 %
5	H2O	natural abundance	95 %

Release date

2014-12-17

Citation

Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions
Kerns, S.J., Agafonov, R.V., Cho, Y., Pontiggia, F., Otten, R., Pachov, D.V., Phung, L.A., Murphy, P.N., Thai, V., Hagan, M.F., Kern, D.
Proc. Natl. Acad. Sci. U.S.A.

Related entities 1. adenylate kinase wild type, : 1 : 13 : 3 : 16 : 265 entities Detail

Interaction partners 1. adenylate kinase wild type, : 11 interactors Detail

More details for 11 interactors identified by 2 citations

Experiments performed 1 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr19091_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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr19091_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	342		79.9 (chain: 1, length: 214)
1	Chemical shift references	chemical_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 214, Sequence coverage: 79.9%
- Total number of assignments
  - ¹H chemical shifts: 171
  - ¹⁵N chemical shifts: 171
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1282	171	13.3
¹⁵N chemical shifts	229	171	74.7

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Found 1 Document (0.723 seconds)

BMRB: 19091

Sample

Related entities 1. adenylate kinase wild type, : 1 : 13 : 3 : 16 : 265 entities Detail

Interaction partners 1. adenylate kinase wild type, : 11 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 5 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	438	171	39.0
¹⁵N chemical shifts	204	171	83.8