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BMRB: 15960

3OJM

Solution structure of human acidic fibroblast growth factor in complex with anti-angiogenic drug inositol hexaphosphate (IP6)

Authors

Kumar, S.M., Mohan, S.K., Chin, Y.

Assembly

FGF-1/IHP complex

Entity

1. FGF-1 (polymer, Thiol state: all free), 133 monomers, 15095.85 Da Detail

YKKPKLLYCS NGGHFLRILP DGTVDGTRDR SDQHIQLQLS AESVGEVYIK STETGQYLAM DTDGLLYGSQ TPNEECLFLE RLEENHYNTY ISKKHAEKNW FVGLKKNGSC KRGPRTHYGQ KAILFLPLPV SSD

2. IHP (non-polymer), 660.035 Da

Total weight

15755.885 Da

Max. entity weight

15095.85 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 69.3 %, Completeness (bb): 95.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	69.3 % (1090 of 1572)	71.0 % (584 of 823)	61.7 % (376 of 609)	92.9 % (130 of 140)
Backbone	95.0 % (747 of 786)	97.1 % (264 of 272)	92.8 % (359 of 387)	97.6 % (124 of 127)
Sidechain	49.4 % (448 of 907)	58.1 % (320 of 551)	35.6 % (122 of 343)	46.2 % (6 of 13)
Aromatic	11.0 % (15 of 136)	19.1 % (13 of 68)	3.0 % (2 of 67)	0.0 % (0 of 1)
Methyl	48.4 % (62 of 128)	75.0 % (48 of 64)	21.9 % (14 of 64)

1. FGF-1

YKKPKLLYCS NGGHFLRILP DGTVDGTRDR SDQHIQLQLS AESVGEVYIK STETGQYLAM DTDGLLYGSQ TPNEECLFLE RLEENHYNTY ISKKHAEKNW FVGLKKNGSC KRGPRTHYGQ KAILFLPLPV SSD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

Release date

2011-05-31

Citation

Molecular level interaction of the human acidic fibroblast growth factor with the antiangiogenic agent, inositol hexaphosphate
Kumar, S.M., Wang, H., Mohan, S.K., Chou, R., Yu, C.
Biochemistry (2010), 49, 10756-10764, PubMed 21077672 , DOI 10.1021/bi101318m , Abstract

Related entities 1. FGF-1, : 1 : 25 : 7 : 52 : 188 entities Detail

Interaction partners 1. FGF-1, : 9 interactors Detail

More details for 9 interactors identified by 8 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

5 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

10 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

11 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8

#	Name	Isotope labeling	Type	Concentration
1	FGF-1	[U-100% 13C; U-100% 15N]		1.5 mM
2	INOSITOL HEXAKISPHOSPHATE	natural abundance		1.5 mM
3	ammonium sulfate	natural abundance		100 mM
4	sodium phosphate	natural abundance		25 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15960_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: bmr15960_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_set	Warning	1163		100.0 (chain: 1, length: 133)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: chemical_shift_set
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 133, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 676
  - ¹³C chemical shifts: 357
  - ¹⁵N chemical shifts: 130
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords Acidic Fibroblast growth factor