BMRB: 16483

Fusion construct of CR17 from LRP-1 and ApoE residues 130-149

Authors

Guttman, M., Komives, E.A.

Assembly

CR17 from LRP-1 and ApoE

Entity

1. CR17 (polymer, Thiol state: all disulfide bound), 80 monomers, 8386.331 Da Detail

GSKLEGKTCG PSSFSCPGTH VCVPERWLCD GDKDCADGAD ESIAAGCLYN STGSGSGSGS TEELRVRLAS HLRKLRKRLL

2. apoE (polymer, Thiol state: not present), 23 monomers, 2795.293 Da Detail

GSYTEELRVR LASHLRKLRK RLL

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

Total weight

11221.702 Da

Max. entity weight

8386.331 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS22:SG
2	disulfide	sing	1:CYS16:SG	1:CYS35:SG
3	disulfide	sing	1:CYS29:SG	1:CYS47:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete1

Sequence coverage: 75.7 %, Completeness: 67.5 %, Completeness (bb): 67.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	67.5 % (765 of 1133)	66.9 % (397 of 593)	67.8 % (297 of 438)	69.6 % (71 of 102)
Backbone	67.8 % (415 of 612)	66.0 % (142 of 215)	68.7 % (204 of 297)	69.0 % (69 of 100)
Sidechain	68.3 % (418 of 612)	67.5 % (255 of 378)	69.4 % (161 of 232)	100.0 % (2 of 2)
Aromatic	68.0 % (34 of 50)	76.0 % (19 of 25)	58.3 % (14 of 24)	100.0 % (1 of 1)
Methyl	66.7 % (68 of 102)	64.7 % (33 of 51)	68.6 % (35 of 51)

1. CR17

GSKLEGKTCG PSSFSCPGTH VCVPERWLCD GDKDCADGAD ESIAAGCLYN STGSGSGSGS TEELRVRLAS HLRKLRKRLL

2. apoE

GSYTEELRVR LASHLRKLRK RLL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine

#	Name	Isotope labeling	Type	Concentration
1	HEPES	[U-99% 2H]		20 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		3 mM
4	CALCIUM ION	natural abundance		5 mM
5	entity_1	[U-99% 13C; U-99% 15N]		0.8 mM
6	H2O	natural abundance		90 %
7	D2O	natural abundance		10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine

#	Name	Isotope labeling	Type	Concentration
8	HEPES	[U-99% 2H]		20 mM
9	sodium chloride	natural abundance		50 mM
10	sodium azide	natural abundance		3 mM
11	CALCIUM ION	natural abundance		5 mM
12	entity_1	[U-99% 13C; U-99% 15N]		0.8 mM
13	D2O	natural abundance		100 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine

#	Name	Isotope labeling	Type	Concentration
14	HEPES	[U-99% 2H]		20 mM
15	sodium chloride	natural abundance		50 mM
16	sodium azide	natural abundance		3 mM
17	CALCIUM ION	natural abundance		5 mM
18	entity_1	[U-99% 15N]		0.8 mM
19	H2O	natural abundance		90 %
20	D2O	natural abundance		10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45

#	Name	Isotope labeling	Type	Concentration
21	HEPES	[U-99% 2H]		20 mM
22	sodium chloride	natural abundance		150 mM
23	sodium azide	natural abundance		3 mM
24	EDTA	[U-99% 2H]		2 mM
25	entity_2	[U-99% 15N]		0.5 mM
26	H2O	natural abundance		90 %
27	D2O	natural abundance		10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45

#	Name	Isotope labeling	Type	Concentration
28	HEPES	[U-99% 2H]		20 mM
29	sodium chloride	natural abundance		150 mM
30	sodium azide	natural abundance		3 mM
31	EDTA	[U-99% 2H]		2 mM
32	entity_2	[U-99% 13C; U-99% 15N]		0.5 mM
33	H2O	natural abundance		90 %
34	D2O	natural abundance		10 %

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 40.8 %, Completeness: 51.6 %, Completeness (bb): 51.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	51.6 % (1170 of 2266)	50.9 % (604 of 1186)	52.4 % (459 of 876)	52.5 % (107 of 204)
Backbone	51.4 % (629 of 1224)	50.5 % (217 of 430)	51.7 % (307 of 594)	52.5 % (105 of 200)
Sidechain	52.6 % (644 of 1224)	51.2 % (387 of 756)	55.0 % (255 of 464)	50.0 % (2 of 4)
Aromatic	44.0 % (44 of 100)	50.0 % (25 of 50)	37.5 % (18 of 48)	50.0 % (1 of 2)
Methyl	58.3 % (119 of 204)	56.9 % (58 of 102)	59.8 % (61 of 102)

1. CR17

GSKLEGKTCG PSSFSCPGTH VCVPERWLCD GDKDCADGAD ESIAAGCLYN STGSGSGSGS TEELRVRLAS HLRKLRKRLL

2. apoE

GSYTEELRVR LASHLRKLRK RLL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine

#	Name	Isotope labeling	Type	Concentration
1	HEPES	[U-99% 2H]		20 mM
2	sodium chloride	natural abundance		50 mM
3	sodium azide	natural abundance		3 mM
4	CALCIUM ION	natural abundance		5 mM
5	entity_1	[U-99% 13C; U-99% 15N]		0.8 mM
6	H2O	natural abundance		90 %
7	D2O	natural abundance		10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine

#	Name	Isotope labeling	Type	Concentration
8	HEPES	[U-99% 2H]		20 mM
9	sodium chloride	natural abundance		50 mM
10	sodium azide	natural abundance		3 mM
11	CALCIUM ION	natural abundance		5 mM
12	entity_1	[U-99% 13C; U-99% 15N]		0.8 mM
13	D2O	natural abundance		100 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine

#	Name	Isotope labeling	Type	Concentration
14	HEPES	[U-99% 2H]		20 mM
15	sodium chloride	natural abundance		50 mM
16	sodium azide	natural abundance		3 mM
17	CALCIUM ION	natural abundance		5 mM
18	entity_1	[U-99% 15N]		0.8 mM
19	H2O	natural abundance		90 %
20	D2O	natural abundance		10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45

#	Name	Isotope labeling	Type	Concentration
21	HEPES	[U-99% 2H]		20 mM
22	sodium chloride	natural abundance		150 mM
23	sodium azide	natural abundance		3 mM
24	EDTA	[U-99% 2H]		2 mM
25	entity_2	[U-99% 15N]		0.5 mM
26	H2O	natural abundance		90 %
27	D2O	natural abundance		10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45

#	Name	Isotope labeling	Type	Concentration
28	HEPES	[U-99% 2H]		20 mM
29	sodium chloride	natural abundance		150 mM
30	sodium azide	natural abundance		3 mM
31	EDTA	[U-99% 2H]		2 mM
32	entity_2	[U-99% 13C; U-99% 15N]		0.5 mM
33	H2O	natural abundance		90 %
34	D2O	natural abundance		10 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2KNY, Strand ID: A Detail

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Heteronucl. T₁

46 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.45 Detail

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Pressure 1 atm, Temperature 298 K, pH 7.45

Experiment name 2D 1H-15N HSQC

Heteronucl. T₂

44 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.45 Detail

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Pressure 1 atm, Temperature 298 K, pH 7.45

Experiment name 2D 1H-15N HSQC

Heteronucl. NOE

62 NOE values in 2 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.45 Detail

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Pressure 1 atm, Temperature 298 K, pH 7.45

Experiment name 2D 1H-15N HSQC

Pressure 1 atm, Temperature 298 K, pH 7.45

Experiment name 2D 1H-15N HSQC

Heteronucl. T₁/T₂

44 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.45 Detail

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Pressure 1 atm, Temperature 298 K, pH 7.45

Release date

2010-02-01

Citation

Decoding of lipoprotein-receptor interactions: properties of ligand binding modules governing interactions with apolipoprotein E
Guttman, M., Prieto, J., Croy, J.E., Komives, E.A.
Biochemistry (2010), 49, 1207-1216, PubMed 20030366 , DOI 10.1021/bi9017208 , Abstract

Related entities 1. CR17, : 11 entities Detail

Related entities 2. apoE, : 1 : 15 entities Detail

Experiments performed 15 experiments Detail

NMR combined restraints 7 contents Detail