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BMRB: 16502

3OJM

Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor bound to 1,3,6-naphthalenetrisulfonate

Authors

Lozano, R.M., Jimenez, M.L., Santoro, J., Rico, M., Gimenez-Gallego, G.

Assembly

aFGF-NTS

Entity

1. aFGF (polymer, Thiol state: all free), 132 monomers, 14932.68 Da Detail

KKPKLLYCSN GGHFLRILPD GTVDGTRDRS DQHIQLQLSA ESVGEVYIKS TETGQYLAMD TDGLLYGSQT PNEECLFLER LEENHYNTYI SKKHAEKNWF VGLKKNGSCK RGPRTHYGQK AILFLPLPVS SD

2. NTS (non-polymer), 365.336 Da

Total weight

15298.016 Da

Max. entity weight

14932.68 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 81.7 %, Completeness (bb): 94.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	81.7 % (666 of 815)	81.7 % (666 of 815)
Backbone	94.4 % (255 of 270)	94.4 % (255 of 270)
Sidechain	75.4 % (411 of 545)	75.4 % (411 of 545)
Aromatic	90.6 % (58 of 64)	90.6 % (58 of 64)
Methyl	93.8 % (60 of 64)	93.8 % (60 of 64)

1. aFGF

KKPKLLYCSN GGHFLRILPD GTVDGTRDRS DQHIQLQLSA ESVGEVYIKS TETGQYLAMD TDGLLYGSQT PNEECLFLER LEENHYNTYI SKKHAEKNWF VGLKKNGSCK RGPRTHYGQK AILFLPLPVS SD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
1	aFGF	natural abundance	1.0 ~ 2.0 mM
2	sodium phosphate	natural abundance	10 mM
3	TSP	natural abundance	0.1 ~ 0.2 mM
4	beta-mercaptoethanol	natural abundance	1 mM
5	sodium chloride	natural abundance	150 mM
6	NTS	natural abundance	2 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
9	aFGF	natural abundance	1.0 ~ 2.0 mM
10	sodium phosphate	natural abundance	10 mM
11	TSP	natural abundance	0.1 ~ 0.2 mM
12	beta-mercaptoethanol	natural abundance	1 mM
13	sodium chloride	natural abundance	150 mM
14	NTS	natural abundance	2 mM
15	D2O	natural abundance	100 %

Release date

2009-09-17

Citation 1

Solution structure of acidic fibroblast growth factor bound to 1,3, 6-naphthalenetrisulfonate: a minimal model for the anti-tumoral action of suramins and suradistas
Pineda-Lucena, A., Jimenez, M., Nieto, J.L., Santoro, J., Rico, M., Gimenez-Gallego, G.
J. Mol. Biol. (1998), 281, 899-915, PubMed 9719643 , DOI: , Abstract

Show more 1 citaion

Citation 2

1H-NMR assignment and solution structure of human acidic fibroblast growth factor activated by inositol hexasulfate
Pineda-Lucena, A., Jimenez, M., Nieto, J.L., Santoro, J., Rico, M., Gimenez-Gallego, G.
J. Mol. Biol. (1994), 242, 81-98, PubMed 7521397 , DOI 10.1006/jmbi.1994.1558 , Abstract

Hide non-primary 1 citaion

Entries sharing articles BMRB: 3, Swiss-Prot: 1 entries Detail

  BMRB: 17464 released on 2012-06-05
    Title Solution Structure of Acidic Fibroblast Growth Factor Bound to 1,3,6-Naphthalenetrisulfonate: A Minimal Model for the Anti-tumoral Action of Suramins and Suradistas
  BMRB: 16493 released on 2009-09-14
    Title Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor bound to inositol hexasulfate
  BMRB: 16494 released on 2009-09-14
    Title Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor
  Swiss-Prot: P05230 released on 1987-08-13
    Title FGF1_HUMAN Entity Fibroblast growth factor 1

Related entities 1. aFGF, : 1 : 25 : 7 : 52 : 188 entities Detail

Interaction partners 1. aFGF, : 9 interactors Detail

More details for 9 interactors identified by 8 citations

Experiments performed 6 experiments Detail

1 2D 1H-1H COSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
1	aFGF	natural abundance	1.0 ~ 2.0 mM
2	sodium phosphate	natural abundance	10 mM
3	TSP	natural abundance	0.1 ~ 0.2 mM
4	beta-mercaptoethanol	natural abundance	1 mM
5	sodium chloride	natural abundance	150 mM
6	NTS	natural abundance	2 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

2 2D 1H-1H TOCSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
1	aFGF	natural abundance	1.0 ~ 2.0 mM
2	sodium phosphate	natural abundance	10 mM
3	TSP	natural abundance	0.1 ~ 0.2 mM
4	beta-mercaptoethanol	natural abundance	1 mM
5	sodium chloride	natural abundance	150 mM
6	NTS	natural abundance	2 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

3 2D 1H-1H NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
1	aFGF	natural abundance	1.0 ~ 2.0 mM
2	sodium phosphate	natural abundance	10 mM
3	TSP	natural abundance	0.1 ~ 0.2 mM
4	beta-mercaptoethanol	natural abundance	1 mM
5	sodium chloride	natural abundance	150 mM
6	NTS	natural abundance	2 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

4 2D 1H-1H COSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
9	aFGF	natural abundance	1.0 ~ 2.0 mM
10	sodium phosphate	natural abundance	10 mM
11	TSP	natural abundance	0.1 ~ 0.2 mM
12	beta-mercaptoethanol	natural abundance	1 mM
13	sodium chloride	natural abundance	150 mM
14	NTS	natural abundance	2 mM
15	D2O	natural abundance	100 %

5 2D 1H-1H TOCSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
9	aFGF	natural abundance	1.0 ~ 2.0 mM
10	sodium phosphate	natural abundance	10 mM
11	TSP	natural abundance	0.1 ~ 0.2 mM
12	beta-mercaptoethanol	natural abundance	1 mM
13	sodium chloride	natural abundance	150 mM
14	NTS	natural abundance	2 mM
15	D2O	natural abundance	100 %

6 2D 1H-1H NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
9	aFGF	natural abundance	1.0 ~ 2.0 mM
10	sodium phosphate	natural abundance	10 mM
11	TSP	natural abundance	0.1 ~ 0.2 mM
12	beta-mercaptoethanol	natural abundance	1 mM
13	sodium chloride	natural abundance	150 mM
14	NTS	natural abundance	2 mM
15	D2O	natural abundance	100 %

Chemical shift validation 4 contents Detail

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	790		99.2 (chain: 1, length: 132)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
13	HIS	HD1	6.46
13	HIS	HE2	7.67
33	HIS	HD1	7.12
33	HIS	HE2	8.22
105	LYS	HZ1	6.42
105	LYS	HZ2	6.42
105	LYS	HZ3	6.42
115	THR	HG1	6.29

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	815	662	81.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	270	254	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	545	408	74.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	65	60	92.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	64	58	90.6

Keywords acidic fibroblast growth factor, angiogenesis inhibitors, naphthalenetrisulfonate, suradista, suramin, heparin

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16502_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

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Found 1 Document (0.837 seconds)

BMRB: 16502

Sample #1

Sample #2

Entries sharing articles BMRB: 3, Swiss-Prot: 1 entries Detail

Related entities 1. aFGF, : 1 : 25 : 7 : 52 : 188 entities Detail

Interaction partners 1. aFGF, : 9 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 4 contents Detail