BMRBj - BMREntryMaster

Found 1 Document (0.724 seconds)

BMRB: 36005

5GGM

The NMR structure of calmodulin in CTAB reverse micelles

Authors

Xu, G., Cheng, K., Wu, Q., Liu, M., Li, C.

Assembly

Calmodulin

Entity

1. Calmodulin, entity 1 (polymer, Thiol state: not present), 148 monomers, 16707.20 Da Detail

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

2. CALCIUM ION (non-polymer), 40.078 × 3 Da
3. TERBIUM(III) ION (non-polymer), 158.925 Da

Total weight

16986.36 Da

Max. entity weight

16707.2 Da

Entity Connection

metal coordination 13 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:ASP20:OD2	2:CA1:CA
2	metal coordination	sing	1:GLU31:OE2	2:CA1:CA
3	metal coordination	sing	1:ASP56:OD1	3:TB1:TB
4	metal coordination	sing	1:ASP58:OD2	3:TB1:TB
5	metal coordination	sing	1:ASP60:OD1	3:TB1:TB
6	metal coordination	sing	1:ASP60:OD2	3:TB1:TB
7	metal coordination	sing	1:THR62:O	3:TB1:TB
8	metal coordination	sing	1:GLU67:OE1	3:TB1:TB
9	metal coordination	sing	1:GLU67:OE2	3:TB1:TB
10	metal coordination	sing	1:ASP93:OD1	2:CA1:CA
11	metal coordination	sing	1:GLU11:OE1	2:CA1:CA
12	metal coordination	sing	1:GLU14:OE1	2:CA1:CA
13	metal coordination	sing	1:GLU14:OE2	2:CA1:CA

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 71.2 %, Completeness (bb): 80.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	71.2 % (1187 of 1667)	76.0 % (657 of 865)	60.5 % (390 of 645)	89.2 % (140 of 157)
Backbone	80.3 % (710 of 884)	93.8 % (286 of 305)	65.6 % (284 of 433)	95.9 % (140 of 146)
Sidechain	65.8 % (605 of 920)	66.4 % (372 of 560)	66.8 % (233 of 349)	0.0 % (0 of 11)
Aromatic	36.0 % (36 of 100)	62.0 % (31 of 50)	10.0 % (5 of 50)
Methyl	98.6 % (140 of 142)	97.2 % (69 of 71)	100.0 % (71 of 71)

1. entity 1

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

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]	protein	0.25 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	Calmodulin	[U-13C; U-15N]		0.25 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.65 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	water	protons	4.65 ppm	na	indirect	0.1013291

Referencing offset: 1.41 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.65 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	water	protons	4.65 ppm	na	indirect	0.1013291

Referencing offset: 1.41 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.65 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	water	protons	4.65 ppm	na	indirect	0.1013291

Referencing offset: 0.1 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 5GGM, Strand ID: A Detail

Release date

2016-09-25

Citation

The NMR structure of calmodulin in CTAB reverse micelles
Xu, G., Cheng, K., Wu, Q., Liu, M., Li, C.

Related entities 1. Calmodulin, entity 1, : 1 : 2 : 115 : 181 entities Detail

Interaction partners 1. Calmodulin, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 850 MHz HCN-cyroprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]	protein	0.25 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

2 3D HNCACB

Instrument

Bruker AvanceIII - 850 MHz HCN-cyroprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]	protein	0.25 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

3 3D HNCA

Instrument

Bruker AvanceIII - 850 MHz HCN-cyroprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]	protein	0.25 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

4 3D HN(CO)CA

Instrument

Bruker AvanceIII - 850 MHz HCN-cyroprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]	protein	0.25 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

5 3D HN(CO)CACB

Instrument

Bruker AvanceIII - 850 MHz HCN-cyroprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]	protein	0.25 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

6 2D 1H-15N HSQC