BMRBj - BMREntryMaster

Found 1 Document (1.991 seconds)

BMRB: 4270

5UKG

Chemical Shift Assignment of Ca2+/calmodulin (1H, 13C, and 15N) Complexed with Its Binding Domain from Rat Ca2+/calmodulin Dependent Protein Kinase Kinase (1H).

Authors

Osawa, M., Tokumitsu, H., Swindells, M.B., Kurihara, H., Orita, M., Shibanuma, T., Furuya, T., Ikura, M.

Assembly

Ca2+/calmodulin - 26-residue peptide from rat Ca2+/calmodulin dependent protein kinase kinase complex

Entity

1. calmodulin (polymer, Thiol state: not present), 148 monomers, 16706.21 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. Ca2+/calmodulin dependent protein kinase kinase complex (polymer, Thiol state: not present), 26 monomers, 3018.660 Da Detail

VKLIPSWTTV ILVKSMLRKR SFGNPF

Total weight

19724.871 Da

Max. entity weight

16706.21 Da

Source organism

Xenopus laevis , Rattus norvegicus

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 84.5 %, Completeness: 77.9 %, Completeness (bb): 84.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.9 % (1563 of 2006)	77.8 % (811 of 1043)	76.8 % (598 of 779)	83.7 % (154 of 184)
Backbone	84.2 % (872 of 1036)	84.6 % (301 of 356)	83.5 % (426 of 510)	85.3 % (145 of 170)
Sidechain	73.0 % (826 of 1132)	74.2 % (510 of 687)	71.2 % (307 of 431)	64.3 % (9 of 14)
Aromatic	31.1 % (41 of 132)	34.8 % (23 of 66)	27.7 % (18 of 65)	0.0 % (0 of 1)
Methyl	77.5 % (138 of 178)	77.5 % (69 of 89)	77.5 % (69 of 89)

1. calmodulin

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. Ca2+/calmodulin dependent protein kinase kinase complex

VKLIPSWTTV ILVKSMLRKR SFGNPF

Show sample condition

Sample

Temperature 303 (±0.1) K, pH 6.7 (±0.1)

#	Name	Isotope labeling	Concentration
1	calmodulin	[U-13C, U-15N]	1.5 mM
2	Ca2+/calmodulin dependent protein kinase kinase complex		1.875 mM
3	potassium chloride		100 mM
4	calcium chloride		10.6 mM

Chem. Shift Complete2

Sequence coverage: 28.2 %, Completeness: 48.3 %, Completeness (bb): 51.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.3 % (1938 of 4012)	51.2 % (1067 of 2086)	44.4 % (692 of 1558)	48.6 % (179 of 368)
Backbone	51.1 % (1058 of 2072)	55.9 % (398 of 712)	48.1 % (491 of 1020)	49.7 % (169 of 340)
Sidechain	45.8 % (1037 of 2264)	48.7 % (669 of 1374)	41.5 % (358 of 862)	35.7 % (10 of 28)
Aromatic	19.3 % (51 of 264)	25.0 % (33 of 132)	13.8 % (18 of 130)	0.0 % (0 of 2)
Methyl	52.5 % (187 of 356)	56.7 % (101 of 178)	48.3 % (86 of 178)

1. calmodulin

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. Ca2+/calmodulin dependent protein kinase kinase complex

VKLIPSWTTV ILVKSMLRKR SFGNPF

Show sample condition

Sample

Temperature 303 (±0.1) K, pH 6.7 (±0.1)

#	Name	Isotope labeling	Concentration
1	calmodulin	[U-13C, U-15N]	1.5 mM
2	Ca2+/calmodulin dependent protein kinase kinase complex		1.875 mM
3	potassium chloride		100 mM
4	calcium chloride		10.6 mM

Protein Blocks Logo

Calculated from 30 models in PDB: 1CKK, Strand ID: A, B Detail

Release date

2007-07-12

Citation

A novel target recognition revealed by calmodulin in complex with Ca2+-calmodulin-dependent kinase kinase
Osawa, M., Tokumitsu, H., Swindells, M.B., Kurihara, H., Orita, M., Shibanuma, T., Furuya, T., Ikura, M.
Nat. Struct. Biol. (1999), 6, 819-824, PubMed 10467092 , DOI 10.1038/12271 , Abstract

Related entities 1. calmodulin, : 11 : 88 entities Detail

Related entities 2. Ca2+/calmodulin dependent protein kinase kinase complex, : 1 : 3 : 4 : 12 entities Detail

Interaction partners 2. Ca2+/calmodulin dependent protein kinase kinase complex, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 1 experiments Detail

Chemical shift validation 6 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4270_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: bmr4270_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1725	100.0 (chain: 1, length: 147)
2	Assigned chemical shifts	assigned_chemical_shifts_two	Warning	166	95.8 (chain: 2, length: 24)
1	Chemical shift references	chemical_shift_reference_one	OK	1	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 147, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 971
  - ¹³C chemical shifts: 601
  - ¹⁵N chemical shifts: 153
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chemical_shifts_two
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 24, Sequence coverage: 95.8%
- Total number of assignments
  - ¹H chemical shifts: 166
- Completeness of assignments
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	864	813	94.1
¹³C chemical shifts	642	601	93.6
¹⁵N chemical shifts	163	153	93.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	303	302	99.7
¹³C chemical shifts	294	293	99.7
¹⁵N chemical shifts	145	144	99.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	561	511	91.1
¹³C chemical shifts	348	308	88.5
¹⁵N chemical shifts	18	9	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	79	79	100.0
¹³C chemical shifts	79	79	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	23	46.0
¹³C chemical shifts	50	18	36.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	154	134	87.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	46	46	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	108	88	81.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	17	16	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	10	62.5

Keywords calmodulin dependent protein kinase kinase, calmodulin target peptide complex

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Found 1 Document (1.991 seconds)

BMRB: 4270

Sample

Sample

Related entities 1. calmodulin, : 11 : 88 entities Detail

Related entities 2. Ca2+/calmodulin dependent protein kinase kinase complex, : 1 : 3 : 4 : 12 entities Detail

Interaction partners 2. Ca2+/calmodulin dependent protein kinase kinase complex, : 4 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 6 contents Detail