BMRB: 17329

The Solution Structure of Calcium Bound CIB1

Authors

Huang, H., Vogel, H.J., Ishida, H., Yamniuk, A.P.

Assembly

PROTEIN

Entity

1. CIB1 (polymer, Thiol state: all free), 214 monomers, 24469.92 Da Detail

MGHHHHHHHH HHSSGHIDDD DKHMGGSGSR LSKELLAEYQ DLTFLTKQEI LLAHRRFCEL LPQEQRSVES SLRAQVPFEQ ILSLPELKAN PFKERICRVF STSPAKDSLS FEDFLDLLSV FSDTATPDIK SHYAFRIFDF DDDGTLNRED LSRLVNCLTG EGEDTRLSAS EMKQLIDNIL EESDIDRDGT INLSEFQHVI SRSPDFASSF KIVL

2. CA (non-polymer, Thiol state: not present), 40.078 × 2 Da

Total weight

24550.076 Da

Max. entity weight

24469.92 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.4 %, Completeness: 45.5 %, Completeness (bb): 71.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	45.5 % (1133 of 2488)	25.5 % (330 of 1292)	65.1 % (635 of 976)	76.4 % (168 of 220)
Backbone	71.2 % (904 of 1270)	45.3 % (195 of 430)	85.5 % (541 of 633)	81.2 % (168 of 207)
Sidechain	28.4 % (404 of 1423)	15.5 % (134 of 862)	49.3 % (270 of 548)	0.0 % (0 of 13)
Aromatic	0.0 % (0 of 216)	0.0 % (0 of 108)	0.0 % (0 of 108)
Methyl	77.8 % (168 of 216)	75.0 % (81 of 108)	80.6 % (87 of 108)

1. CIB1

MGHHHHHHHH HHSSGHIDDD DKHMGGSGSR LSKELLAEYQ DLTFLTKQEI LLAHRRFCEL LPQEQRSVES SLRAQVPFEQ ILSLPELKAN PFKERICRVF STSPAKDSLS FEDFLDLLSV FSDTATPDIK SHYAFRIFDF DDDGTLNRED LSRLVNCLTG EGEDTRLSAS EMKQLIDNIL EESDIDRDGT INLSEFQHVI SRSPDFASSF KIVL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CIB1	[U-13C; U-15N; U-2H]		0.5 mM
2	HEPES	natural abundance		50 mM
3	potassium chloride	natural abundance		100 mM
4	calcium cloride	natural abundance		4 mM
5	DTT	natural abundance		10 mM
6	Pf1 phage	natural abundance		12 mg/mL
7	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
9	CIB1	I/L/V methyl 13C and 1H, [U,2H]		0.5 mM
10	HEPES	natural abundance		50 mM
11	potassium chloride	natural abundance		100 mM
12	calcium chloride	natural abundance		4 mM
13	DTT	natural abundance		10 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
16	CIB1	[U-13C; U-15N; U-2H]		0.5 mM
17	HEPES	natural abundance		50 mM
18	potassium chloride	natural abundance		100 mM
19	calcium cloride	natural abundance		4 mM
20	DTT	natural abundance		10 mM
21	H2O	natural abundance		90 %
22	D2O	natural abundance		10 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
23	CIB1	[U-13C; U-2H]-I/L/V methyl		0.5 mM
24	HEPES	natural abundance		50 mM
25	potassium chloride	natural abundance		100 mM
26	calcium cloride	natural abundance		4 mM
27	DTT	natural abundance		10 mM
28	D2O	natural abundance		100 %

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LACS Plot; CA

Referencing offset: 0.52 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.52 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.1 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 11 models in PDB: 2L4H, Strand ID: A Detail

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Release date

2011-03-29

Citation

Solution structures of Ca2+-CIB1 and Mg2+-CIB1 and their interactions with the platelet integrin alphaIIb cytoplasmic domain
Huang, H., Ishida, H., Yamniuk, A.P., Vogel, H.J.
J. Biol. Chem. (2011), 286, 17181-17192, PubMed 21388953 , DOI 10.1074/jbc.M110.179028 , Abstract

Related entities 1. CIB1, : 1 : 2 : 8 : 136 entities Detail

Interaction partners 1. CIB1, : 18 interactors Detail

Experiments performed 9 experiments Detail