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Found 1 Document (1.631 seconds)

BMRB: 4689

1HWG

NMR Studies of the Backbone Flexibility and Structure of Human Growth Hormone: a Comparison of High and Low pH Conformations

Authors

Kasimova, M.R., Kristensen, S.M., Howe, P.W.A., Christensen, T., Matthiesen, F., Petersen, J., Sorensen, H.H., Led, J.J.

Assembly

Human Growth Hormone

Entity

1. Human Growth Hormone (polymer, Thiol state: all disulfide bound), 191 monomers, 22128.78 Da Detail

FPTIPLSRLF DNAMLRAHRL HQLAFDTYQE FEEAYIPKEQ KYSFLQNPQT SLCFSESIPT PSNREETQQK SNLELLRISL LLIQSWLEPV QFLRSVFANS LVYGASDSNV YDLLKDLEEG IQTLMGRLED GSPRTGQIFK QTYSKFDTNS HNDDALLKNY GLLYCFRKDM DKVETFLRIV QCRSVEGSCG F

Formula weight

22128.78 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts, order_parameters, heteronucl_T1_relaxation, heteronucl_T2_relaxation, heteronucl_NOEs

Chem. Shift Complete1

Sequence coverage: 82.2 %, Completeness: 35.0 %, Completeness (bb): 65.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	35.0 % (808 of 2310)	28.3 % (341 of 1207)	36.5 % (327 of 897)	68.0 % (140 of 206)
Backbone	65.6 % (741 of 1130)	75.7 % (289 of 382)	55.4 % (313 of 565)	76.0 % (139 of 183)
Sidechain	6.5 % (89 of 1363)	6.3 % (52 of 825)	7.0 % (36 of 515)	4.3 % (1 of 23)
Aromatic	0.5 % (1 of 218)	0.9 % (1 of 109)	0.0 % (0 of 108)	0.0 % (0 of 1)
Methyl	11.1 % (22 of 198)	10.1 % (10 of 99)	12.1 % (12 of 99)

1. Human Growth Hormone

Show sample condition

Sample #1

Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2)

#	Name	Isotope labeling	Concentration
1	Human Growth Hormone	[U-90% 15N; U-95% 13C]	0.9 mM
2	H2O		10 %
3	D2O		90 %

Sample #2

Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2)

#	Name	Isotope labeling	Concentration
4	Human Growth Hormone	[U-90% 15N]	0.9 mM
5	H2O		10 %
6	D2O		90 %

Sample #3

Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2)

#	Name	Isotope labeling	Concentration
7	Human Growth Hormone	[Leu-90% 15N]	0.9 mM
8	H2O		10 %
9	D2O		90 %
10	Sodium phosphate		10 mM

Sample #4

Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2)

#	Name	Isotope labeling	Concentration
11	Human Growth Hormone	[U-90% 15N; U-95% 13C]	0.9 mM
12	H2O		0.04 %
13	D2O		99.96 %

Chem. Shift Complete2

Sequence coverage: 73.3 %, Completeness: 31.9 %, Completeness (bb): 56.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	31.9 % (1472 of 4620)	28.5 % (688 of 2414)	29.3 % (525 of 1794)	62.9 % (259 of 412)
Backbone	56.0 % (1266 of 2260)	69.5 % (531 of 764)	42.4 % (479 of 1130)	69.9 % (256 of 366)
Sidechain	9.1 % (248 of 2726)	9.5 % (156 of 1650)	8.6 % (89 of 1030)	6.5 % (3 of 46)
Aromatic	5.7 % (25 of 436)	6.4 % (14 of 218)	5.1 % (11 of 216)	0.0 % (0 of 2)
Methyl	13.6 % (54 of 396)	15.7 % (31 of 198)	11.6 % (23 of 198)

1. Human Growth Hormone

Show sample condition

Sample #1

Pressure 1 atm, Temperature 305 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Human Growth Hormone	[U-90% 15N; U-95% 13C]	0.9 mM
2	H2O		10 %
3	D2O		90 %

Sample #2

Pressure 1 atm, Temperature 305 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
4	Human Growth Hormone	[U-90% 15N]	0.9 mM
5	H2O		10 %
6	D2O		90 %

Heteronucl. T₁

237 T₁ values in 2 lists
Coherence Sz, Field strength (¹H) 499.98 MHz, Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2), 7.0 (±0.2) Detail

Heteronucl. T₂

237 T₂ values in 2 lists
Coherence S(+,-), Field strength (¹H) 499.98 MHz, Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2), 7.0 (±0.2) Detail

Heteronucl. NOE

237 NOE values in 2 lists
Value type relative intensities, Field strength (¹H) 499.98 MHz, Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2), 7.0 (±0.2) Detail

Heteronucl. T₁/T₂

237 T₁/T₂ values in 2 lists
Field strength (¹H) 499.98 MHz, Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2), 7.0 (±0.2) Detail

Order parameters

237 S² values in 2 lists
Pressure 1 atm, Temperature 305 (±0.1) K, pH 2.7 (±0.2), 7.0 (±0.2) Detail

Release date

2002-03-31

Citation

NMR studies of the backbone flexibility and structure of human growth hormone: a comparison of high and low pH conformations
Kasimova, M.R., Kristensen, S.M., Howe, P.W.A., Christensen, T., Matthiesen, F., Petersen, J., Sorensen, H.H., Led, J.J.
J. Mol. Biol. (2002), 318, 679-695, PubMed 12054815 , DOI 10.1016/S0022-2836(02)00137-7 , Abstract

Related entities 1. Human Growth Hormone, : 1 : 3 : 5 : 157 entities Detail

Interaction partners 1. Human Growth Hormone, : 83 interactors Detail

More details for 83 interactors identified by 5 citations

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Heteronucl T2 relaxation data, Order parameter relaxation analysis	bmr4689_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr4689_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_one	Warning	702	80.6 (chain: 1, length: 191)
2	Assigned chemical shifts	chemical_shift_assignment_two	OK	447	69.1 (chain: 1, length: 191)
1	Chemical shift references	chemical_shift_reference	OK	3	No information

Assigned chemical shifts

Saveframe: chemical_shift_assignment_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 191, Sequence coverage: 80.6%
- Total number of assignments
  - ¹H chemical shifts: 283
  - ¹³C chemical shifts: 282
  - ¹⁵N chemical shifts: 137
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: chemical_shift_assignment_two
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 191, Sequence coverage: 69.1%
- Total number of assignments
  - ¹H chemical shifts: 219
  - ¹³C chemical shifts: 120
  - ¹⁵N chemical shifts: 108
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
5	PRO	N	140.0
133	PRO	N	137.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1207	283	23.4
¹³C chemical shifts	897	282	31.4
¹⁵N chemical shifts	217	135	62.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	382	283	74.1
¹³C chemical shifts	382	282	73.8
¹⁵N chemical shifts	183	135	73.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	825	0	0.0
¹³C chemical shifts	515	0	0.0
¹⁵N chemical shifts	34	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	102	0	0.0
¹³C chemical shifts	102	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	0	0.0
¹³C chemical shifts	108	0	0.0
¹⁵N chemical shifts	1	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1207	219	18.1
¹³C chemical shifts	897	120	13.4
¹⁵N chemical shifts	217	108	49.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	382	219	57.3
¹³C chemical shifts	382	120	31.4
¹⁵N chemical shifts	183	108	59.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	825	0	0.0
¹³C chemical shifts	515	0	0.0
¹⁵N chemical shifts	34	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	102	0	0.0
¹³C chemical shifts	102	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	0	0.0
¹³C chemical shifts	108	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords backbone dynamics, amide proton exchange, human growth hormone, NMR, secondary structure, protein folding

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Found 1 Document (1.631 seconds)

BMRB: 4689

Sample #1

Sample #2

Sample #3

Sample #4

Sample #1

Sample #2

Related entities 1. Human Growth Hormone, : 1 : 3 : 5 : 157 entities Detail

Interaction partners 1. Human Growth Hormone, : 83 interactors Detail

Chemical shift validation 4 contents Detail