BMRBj - BMREntryMaster

Found 1 Document (1.752 seconds)

BMRB: 4056

6O20

Solution Structure of Calmodulin-W-7 Complex: The Basis of Diversity in Molecular Recognition

Authors

Osawa, M., Swindells, M.B., Tanikawa, J., Tanaka, T., Toshiyuki, T., Mase, T., Furuya, T., Ikura, M.

Assembly

calmodulin W-7 complex

Entity

1. calmodulin (polymer), 148 monomers, 16706.21 Da Detail

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

2. WW7 (non-polymer), 340.868 Da

Total weight

17047.078 Da

Max. entity weight

16706.21 Da

Source organism

Xenopus laevis

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 97.3 %, Completeness: 88.0 %, Completeness (bb): 93.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (1470 of 1670)	87.1 % (755 of 867)	89.5 % (577 of 645)	87.3 % (138 of 158)
Backbone	93.4 % (826 of 884)	95.4 % (291 of 305)	91.7 % (397 of 433)	94.5 % (138 of 146)
Sidechain	83.6 % (772 of 923)	82.6 % (464 of 562)	88.3 % (308 of 349)	0.0 % (0 of 12)
Aromatic	80.0 % (80 of 100)	84.0 % (42 of 50)	76.0 % (38 of 50)
Methyl	97.9 % (139 of 142)	98.6 % (70 of 71)	97.2 % (69 of 71)

1. calmodulin

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

Show sample condition

Sample #1

Temperature 308 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	calmodulin	[U-95%-13C]	1.5 mM
2	W-7		7.5 mM
3	potassium chloride		100 mM
4	calcium chloride		10.6 mM

Sample #2

Temperature 308 K, pH 6.8

#	Name	Isotope labeling	Concentration
5	calmodulin	[U-95%-15N]	1.5 mM
6	W-7		7.5 mM
7	potassium chloride		100 mM
8	calcium chloride		10.6 mM

Chem. Shift Complete2

Sequence coverage: 15.5 %, Completeness: 48.9 %, Completeness (bb): 53.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.9 % (1633 of 3340)	47.5 % (823 of 1734)	50.4 % (650 of 1290)	50.6 % (160 of 316)
Backbone	53.6 % (948 of 1768)	54.1 % (330 of 610)	52.9 % (458 of 866)	54.8 % (160 of 292)
Sidechain	45.0 % (830 of 1846)	43.9 % (493 of 1124)	48.3 % (337 of 698)	0.0 % (0 of 24)
Aromatic	45.0 % (90 of 200)	47.0 % (47 of 100)	43.0 % (43 of 100)
Methyl	53.9 % (153 of 284)	54.2 % (77 of 142)	53.5 % (76 of 142)

1. calmodulin

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

Show sample condition

Sample

Temperature 308 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	calmodulin	[U-95%-13C]	1.5 mM
2	W-7		7.5 mM
3	potassium chloride		100 mM
4	calcium chloride		10.6 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	na	external	indirect	0.2514495
¹H	TSP	na	external	direct	0.0
¹⁵N	TMS	na	external	indirect	0.1013291

Referencing offset: 0.3 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	na	external	indirect	0.2514495
¹H	TSP	na	external	direct	0.0
¹⁵N	TMS	na	external	indirect	0.1013291

Referencing offset: 0.3 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	na	external	indirect	0.2514495
¹H	TSP	na	external	direct	0.0
¹⁵N	TMS	na	external	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	na	external	indirect	0.2514495
¹H	TSP	na	external	direct	0.0
¹⁵N	TMS	na	external	indirect	0.1013291

Referencing offset: -0.79 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

1998-09-02

Citation

Solution structure of calmodulin-W-7 complex: the basis of diversity in molecular recognition
Osawa, M., Swindells, M.B., Tanikawa, J., Toshiyuki, T., Toshiyasu, M., Toshio, F., Mitsuhiko, I.
J. Mol. Biol. (1998), 276, 165-176, PubMed 9514729 , DOI 10.1006/jmbi.1997.1524 , Abstract

Related entities 1. calmodulin, : 1 : 111 : 6 : 3 : 178 entities Detail

Interaction partners 1. calmodulin, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 1 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4056_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	WW7	N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE	Assigned chemical shifts

Content subtype: bmr4056_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_calmodulin	Warning	1588		95.3 (chain: 1, length: 148)
2	Assigned chemical shifts	chemical_shift_assignment_W-7	Warning	18		100.0 (chain: 2, length: 1)

Assigned chemical shifts

Saveframe: chemical_shift_assignment_calmodulin
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 148, Sequence coverage: 95.3%
- Total number of assignments
  - ¹³C chemical shifts: 560
  - ¹H chemical shifts: 893
  - ¹⁵N chemical shifts: 135
- 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: chemical_shift_assignment_W-7
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 18
- Completeness of assignments
  - Entity_assemble_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	645	560	86.8
¹H chemical shifts	867	739	85.2
¹⁵N chemical shifts	164	135	82.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	296	261	88.2
¹H chemical shifts	305	285	93.4
¹⁵N chemical shifts	146	135	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	349	299	85.7
¹H chemical shifts	562	454	80.8
¹⁵N chemical shifts	18	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	80	78	97.5
¹H chemical shifts	80	77	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	50	38	76.0
¹H chemical shifts	50	42	84.0

Comp_index_ID	Comp_ID
1	WW7

Keywords calmodulin-W-7 complex

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Found 1 Document (1.752 seconds)

BMRB: 4056

Sample #1

Sample #2

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. calmodulin, : 1 : 111 : 6 : 3 : 178 entities Detail

Interaction partners 1. calmodulin, : 1 interactors Detail

Experiments performed 1 experiments Detail

Sample #1

Sample #2

Chemical shift validation 5 contents Detail