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BMRB: 17614

2LCK

Structure of the mitochondrial uncoupling protein 2 determined by NMR molecular fragment replacement

Authors

Berardi, M.J., Chou, J.J.

Assembly

UCP2

Entity

1. UCP2 (polymer), 303 monomers, 33011.68 Da Detail

MTVKFLGAGT AACIADLITF PLDTAKVRLQ IQGESQGLVR TAASAQYRGV LGTILTMVRT EGPRSLYNGL VAGLQRQMSF ASVRIGLYDS VKQFYTKGSE HAGIGSRLLA GSTTGALAVA VAQPTDVVKV RFQAQARAGG GRRYQSTVEA YKTIAREEGI RGLWKGTSPN VARNAIVNCA ELVTYDLIKD TLLKANLMTD DLPCHFTSAF GAGFCTTVIA SPVDVVKTRY MNSALGQYHS AGHCALTMLR KEGPRAFYKG FMPSFLRLGS WNVVMFVTYE QLKRALMAAY QSREAPFHHH HHH

2. UCP2-SL1 (polymer), 303 monomers, 32917.39 Da Detail

MTVKFLGAGT AAAIADLITF PLDTAKVRLQ IQGESQGLVR TAASAQYRGV LGTILCMVRT EGPRSLYNGL VAGLQRQMSF ASVRIGLYDS VKQFYTKGSE HAGIGSRLLA GSTTGALAVA VAQPTDVVKV RFQAQARAGG GRRYQSTVEA YKTIAREEGI RGLWKGTSPN VARNAIVNSA ELVTYDLIKD TLLKANLMTD DLPSHFTSAF GAGFSTTVIA SPVDVVKTRY MNSALGQYHS AGHSALTMLR KEGPRAFYKG FMPSFLRLGS WNVVMFVTYE QLKRALMAAY QSREAPFHHH HHH

3. UCP2-SL2 (polymer), 303 monomers, 32890.37 Da Detail

MTVKFLGAGT AAAIADLITF PLDTAKVRLQ IQGESQGLVR TAASAQYRGV LGTILTMVRT EGPRSLYNGL VAGLQRQMSF ASVRIGLYDS VKCFYTKGSE HAGIGSRLLA GSTTGALAVA VAQPTDVVKV RFQAQARAGG GRRYQSTVEA YKTIAREEGI RGLWKGTSPN VARNAIVNSA ELVTYDLIKD TLLKANLMTD DLPSHFTSAF GAGFSTTVIA SPVDVVKTRY MNSALGQYHS AGHSALTMLR KEGPRAFYKG FMPSFLRLGS WNVVMFVTYE QLKRALMAAY QSREAPFHHH HHH

4. UCP2-SL3 (polymer), 303 monomers, 32903.41 Da Detail

MTVKFLGAGT AAAIADLITF PLDTAKVRLQ IQGESQGLVR TAASAQYRGV LGTILTMVRT EGPRSLYNGL VAGLQRQMSF ASVRIGLYDS VKQFYTKGSE HAGIGSRLLA GSTTGALAVA VAQPTDVVKV RFQAQARAGG GRRYQSTVEA YKTIAREEGI RGLWKGTSPN VARNAIVNSA ELVTYDLIKC TLLKANLMTD DLPSHFTSAF GAGFSTTVIA SPVDVVKTRY MNSALGQYHS AGHSALTMLR KEGPRAFYKG FMPSFLRLGS WNVVMFVTYE QLKRALMAAY QSREAPFHHH HHH

5. UCP2-SL4 (polymer), 303 monomers, 32881.36 Da Detail

MTVKFLGAGT AAAIADLITF PLDTAKVRLQ IQGESQGLVR TAASAQYRGV LGTILTMVRT EGPRSLYNGL VAGLQRQMSF ASVRIGLYDS VKQFYTKGSE HAGIGSRLLA GSTTGALAVA VAQPTDVVKV RFQAQARAGG GRRYQSTVEA YKTIAREEGI RGLWKGTSPN VARNAIVNSA ELVTYDLIKD TLLKANLMTD DLPSHFTSAF GAGFSTTVIA SPVDVVKTRY MNSALGQYHS AGCSALTMLR KEGPRAFYKG FMPSFLRLGS WNVVMFVTYE QLKRALMAAY QSREAPFHHH HHH

Total weight

164604.2 Da

Max. entity weight

33011.68 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

RDC-based Molecular Fragment Replacement, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 20.5 %, Completeness: 10.4 %, Completeness (bb): 16.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	10.4 % (1789 of 17145)	7.1 % (623 of 8795)	13.2 % (893 of 6766)	17.2 % (273 of 1584)
Backbone	16.0 % (1441 of 9000)	11.8 % (369 of 3125)	18.2 % (802 of 4405)	18.4 % (270 of 1470)
Sidechain	6.3 % (603 of 9520)	4.6 % (258 of 5670)	9.2 % (342 of 3736)	2.6 % (3 of 114)
Aromatic	1.4 % (20 of 1446)	2.2 % (16 of 723)	0.6 % (4 of 713)	0.0 % (0 of 10)
Methyl	6.3 % (117 of 1866)	5.1 % (48 of 933)	7.4 % (69 of 933)

1. UCP2

2. UCP2-SL1

3. UCP2-SL2

4. UCP2-SL3

5. UCP2-SL4

MTVKFLGAGT AAAIADLITF PLDTAKVRLQ IQGESQGLVR TAASAQYRGV LGTILTMVRT EGPRSLYNGL VAGLQRQMSF ASVRIGLYDS VKQFYTKGSE HAGIGSRLLA GSTTGALAVA VAQPTDVVKV RFQAQARAGG GRRYQSTVEA YKTIAREEGI RGLWKGTSPN VARNAIVNSA ELVTYDLIKD TLLKANLMTD DLPSHFTSAF GAGFSTTVIA SPVDVVKTRY MNSALGQYHS AGCSALTMLR KEGPRAFYKG FMPSFLRLGS WNVVMFVTYE QLKRALMAAY QSREAPFHHH HHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	UCP2	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	guanosine diphosphate	natural abundance	5 mM
3	dodecylphosphocholine	natural abundance	150 mM
4	cardiolipin	natural abundance	1 mM
5	dimyristoyl-phosphatidylcholine	natural abundance	2 mM
6	beta-mercatpoethanol	natural abundance	5 mM
7	potassium phosphate	natural abundance	30 mM
8	sodium chloride	natural abundance	80 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 K, pH 6.5, Details The protein is weakly aligned by DNA nanotube liquid crystal particles

#	Name	Isotope labeling	Concentration
11	UCP2	[U-100% 13C; U-100% 15N; U-80% 2H]	0.5 mM
12	guanosine diphosphate	natural abundance	5 mM
13	dodecylphosphocholine	natural abundance	150 mM
14	cardiolipin	natural abundance	1 mM
15	dimyristoyl-phosphatidylcholine	natural abundance	2 mM
16	beta-mercatpoethanol	natural abundance	5 mM
17	potassium phosphate	natural abundance	30 mM
18	sodium chloride	natural abundance	80 mM
19	DNA nanotube	natural abundance	2 (±0.2) w/v
20	H2O	natural abundance	95 %
21	D20	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 K, pH 6.5, Details spin label at residue position 68 for PRE measurements

#	Name	Isotope labeling	Concentration
22	UCP2-SL1	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
23	guanosine diphosphate	natural abundance	5 mM
24	dodecylphosphocholine	natural abundance	150 mM
25	cardiolipin	natural abundance	1 mM
26	dimyristoyl-phosphatidylcholine	natural abundance	2 mM
27	beta-mercatpoethanol	natural abundance	5 mM
28	potassium phosphate	natural abundance	30 mM
29	sodium chloride	natural abundance	80 mM
30	H2O	natural abundance	95 %
31	D2O	natural abundance	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 K, pH 6.5, Details spin label at residue position 105 for PRE measurements

#	Name	Isotope labeling	Concentration
32	UCP2-SL2	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
33	guanosine diphosphate	natural abundance	5 mM
34	dodecylphosphocholine	natural abundance	150 mM
35	cardiolipin	natural abundance	1 mM
36	dimyristoyl-phosphatidylcholine	natural abundance	2 mM
37	beta-mercatpoethanol	natural abundance	5 mM
38	potassium phosphate	natural abundance	30 mM
39	sodium chloride	natural abundance	80 mM
40	H2O	natural abundance	95 %
41	D2O	natural abundance	5 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 K, pH 6.5, Details spin label at residue position 202 for PRE measurements

#	Name	Isotope labeling	Concentration
42	UCP2-SL3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
43	guanosine diphosphate	natural abundance	5 mM
44	dodecylphosphocholine	natural abundance	150 mM
45	cardiolipin	natural abundance	1 mM
46	dimyristoyl-phosphatidylcholine	natural abundance	2 mM
47	beta-mercatpoethanol	natural abundance	5 mM
48	potassium phosphate	natural abundance	30 mM
49	sodium chloride	natural abundance	80 mM
50	H2O	natural abundance	95 %
51	D2O	natural abundance	5 %

Sample #6

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 K, pH 6.5, Details spin label at residue position 255 for PRE measurements

#	Name	Isotope labeling	Concentration
52	UCP2-SL4	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
53	guanosine diphosphate	natural abundance	5 mM
54	dodecylphosphocholine	natural abundance	150 mM
55	cardiolipin	natural abundance	1 mM
56	dimyristoyl-phosphatidylcholine	natural abundance	2 mM
57	beta-mercatpoethanol	natural abundance	5 mM
58	potassium phosphate	natural abundance	30 mM
59	sodium chloride	natural abundance	80 mM
60	H2O	natural abundance	95 %
61	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.41 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.41 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.36 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2LCK, Strand ID: A Detail

Release date

2011-08-01

Citation

Mitochondrial uncoupling protein 2 structure determined by NMR molecular fragment searching
Berardi, M.J., Shih, W.M., Harrison, S.C., Chou, J.J.
Nature (2011), 476, 109-113, PubMed 21785437 , DOI 10.1038/nature10257 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P70406 released on 1997-11-01
Title UCP2_MOUSE Entity Mitochondrial uncoupling protein 2

Related entities 1. UCP2, : 1 : 2 : 210 entities Detail

Related entities 2. UCP2-SL1, : 1 : 2 : 210 entities Detail

Related entities 3. UCP2-SL2, : 1 : 2 : 210 entities Detail

Related entities 4. UCP2-SL3, : 1 : 2 : 210 entities Detail