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BMRB: 16968

2K6U

The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF)

Authors

Bullesbach, E.E., Hass, M.A.S., Jensen, M.R., Hansen, F.D., Kristensen, S.M., Schwabe, C.E., Led, J.J.

Assembly

Derivative of HRF

Entity

1. RLF-A crosslinked (polymer, Thiol state: all disulfide bound), 27 monomers, 2834.231 Da Detail

AAATNPARYC CLSGCTQQDL LTLCPYG

2. RLF-B crosslinked (polymer, Thiol state: all disulfide bound), 27 monomers, 3104.674 Da Detail

PTPEMREKLC GHHFVRALVR VCGGPKW

Total weight

5938.9053 Da

Max. entity weight

3104.674 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS10:SG	1:CYS15:SG
2	disulfide	sing	1:CYS11:SG	2:CYS10:SG
3	disulfide	sing	1:CYS24:SG	2:CYS22:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 96.3 %, Completeness: 37.6 %, Completeness (bb): 26.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	37.6 % (207 of 551)	57.3 % (180 of 314)	11.4 % (27 of 237)
Backbone	26.0 % (69 of 265)	51.9 % (56 of 108)	8.3 % (13 of 157)
Sidechain	42.7 % (143 of 335)	60.2 % (124 of 206)	14.7 % (19 of 129)
Aromatic	22.2 % (10 of 45)	21.7 % (5 of 23)	22.7 % (5 of 22)
Methyl	48.1 % (26 of 54)	81.5 % (22 of 27)	14.8 % (4 of 27)

1. RLF-A crosslinked

AAATNPARYC CLSGCTQQDL LTLCPYG

2. RLF-B crosslinked

PTPEMREKLC GHHFVRALVR VCGGPKW

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A_crosslinked	natural abundance	1.2 mM
2	RLF-B_crosslinked	natural abundance	1.2 mM
3	sodium acetate	natural abundance	1.2 mM
4	Na-d4-acetate/NaOD	natural abundance	40 mM
5	H2O	natural abundance	92 %
6	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH* 5.0

#	Name	Isotope labeling	Concentration
7	RLF-A_crosslinked	natural abundance	1.2 mM
8	RLF-B_crosslinked	natural abundance	1.2 mM
9	sodium acetate	natural abundance	1.2 mM
10	Na-d4-acetate/NaOD	natural abundance	40 mM
11	D2O	natural abundance	100 %

Chem. Shift Complete2

Sequence coverage: 98.1 %, Completeness: 45.2 %, Completeness (bb): 34.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	45.2 % (498 of 1102)	72.5 % (455 of 628)	9.1 % (43 of 474)
Backbone	34.3 % (182 of 530)	72.2 % (156 of 216)	8.3 % (26 of 314)
Sidechain	48.5 % (325 of 670)	72.6 % (299 of 412)	10.1 % (26 of 258)
Aromatic	35.6 % (32 of 90)	58.7 % (27 of 46)	11.4 % (5 of 44)
Methyl	49.1 % (53 of 108)	87.0 % (47 of 54)	11.1 % (6 of 54)

1. RLF-A crosslinked

AAATNPARYC CLSGCTQQDL LTLCPYG

2. RLF-B crosslinked

PTPEMREKLC GHHFVRALVR VCGGPKW

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A_crosslinked	natural abundance	1.2 mM
2	RLF-B_crosslinked	natural abundance	1.2 mM
3	sodium acetate	natural abundance	1.2 mM
4	Na-d4-acetate/NaOD	natural abundance	40 mM
5	H2O	natural abundance	92 %
6	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH* 5.0

#	Name	Isotope labeling	Concentration
7	RLF-A_crosslinked	natural abundance	1.2 mM
8	RLF-B_crosslinked	natural abundance	1.2 mM
9	sodium acetate	natural abundance	1.2 mM
10	Na-d4-acetate/NaOD	natural abundance	40 mM
11	D2O	natural abundance	100 %

Chem. Shift Complete3

Sequence coverage: 87.0 %, Completeness: 38.4 %, Completeness (bb): 36.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	38.4 % (635 of 1653)	56.1 % (528 of 942)	15.0 % (107 of 711)
Backbone	36.7 % (292 of 795)	64.2 % (208 of 324)	17.8 % (84 of 471)
Sidechain	36.2 % (364 of 1005)	51.8 % (320 of 618)	11.4 % (44 of 387)
Aromatic	23.7 % (32 of 135)	39.1 % (27 of 69)	7.6 % (5 of 66)
Methyl	45.1 % (73 of 162)	70.4 % (57 of 81)	19.8 % (16 of 81)

1. RLF-A crosslinked

AAATNPARYC CLSGCTQQDL LTLCPYG

2. RLF-B crosslinked

PTPEMREKLC GHHFVRALVR VCGGPKW

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A_crosslinked	natural abundance	1.2 mM
2	RLF-B_crosslinked	natural abundance	1.2 mM
3	sodium acetate	natural abundance	1.2 mM
4	Na-d4-acetate/NaOD	natural abundance	40 mM
5	H2O	natural abundance	92 %
6	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH* 5.0

#	Name	Isotope labeling	Concentration
7	RLF-A_crosslinked	natural abundance	1.2 mM
8	RLF-B_crosslinked	natural abundance	1.2 mM
9	sodium acetate	natural abundance	1.2 mM
10	Na-d4-acetate/NaOD	natural abundance	40 mM
11	D2O	natural abundance	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2K6U, Strand ID: A, B Detail

Release date

2010-06-21

Citation

Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Bullesbach, E.E., Hass, M.A.S., Jensen, M.R., Hansen, F.D., Kristensen, S.M., Schwabe, C., Led, J.J.
Biochemistry (2008), 47, 13308-13317, PubMed 19086273 , DOI: , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P51460 released on 1996-10-01
Title INSL3_HUMAN Entity Insulin-like 3

Related entities 1. RLF-A crosslinked, : 1 : 5 : 13 entities Detail

Related entities 2. RLF-B crosslinked, : 3 : 1 : 18 entities Detail

Experiments performed 7 experiments Detail

1 2D DQF-COSY