BMRB Entry 17674

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17674

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Title:
Solution structure of FGF1-SSR128129E
Deposition date:
2011-05-30
Original release date:
2012-06-19
Authors:
Mohan, Sepuru; Rani, Sandhya; Yu, Chin
Citation:

Citation: Mohan, Sepuru; Rani, Sandhya; Chiu, Ing-Ming; Yu, Chin. "Interaction of FGF1 with a novel anti-angiogenic drug SSR128129E."  Arch. Biochem. Biophys. ., .-. (2012).
PubMed: 22683470

Assembly members:

Assembly members:
FGF1, polymer, 130 residues, 14828.918 Da.
SSR, non-polymer, 457.539 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET20b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FGF1: YKKPKLLYCSNGGHFLRILP DGTVDGTRDRSDQHIQLQLS AESVGEVYIKSTETGQYLAM DTDGLLYGSQTPNEECLFLE RLEENHYNTYISKKHAEKNW FVGLKKNGSCKRGPRTHYGQ KAILFLPLPV

Data sets:
Data typeCount
13C chemical shifts359
15N chemical shifts129
1H chemical shifts682

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1FGF11
2SSR_12
3SSR_22

Entities:

Entity 1, FGF1 130 residues - 14828.918 Da.

1   TYRLYSLYSPROLYSLEULEUTYRCYSSER
2   ASNGLYGLYHISPHELEUARGILELEUPRO
3   ASPGLYTHRVALASPGLYTHRARGASPARG
4   SERASPGLNHISILEGLNLEUGLNLEUSER
5   ALAGLUSERVALGLYGLUVALTYRILELYS
6   SERTHRGLUTHRGLYGLNTYRLEUALAMET
7   ASPTHRASPGLYLEULEUTYRGLYSERGLN
8   THRPROASNGLUGLUCYSLEUPHELEUGLU
9   ARGLEUGLUGLUASNHISTYRASNTHRTYR
10   ILESERLYSLYSHISALAGLULYSASNTRP
11   PHEVALGLYLEULYSLYSASNGLYSERCYS
12   LYSARGGLYPROARGTHRHISTYRGLYGLN
13   LYSALAILELEUPHELEUPROLEUPROVAL

Entity 2, SSR_1 - C28 H28 F N3 O2 - 457.539 Da.

1   SSR

Samples:

sample_1: FGF1, [U-100% 13C; U-100% 15N], 1.0 ± 0.01 mM; SSR 2.1 ± 0.01 mM; sodium phosphate 25 mM; ammonium sulfate 100 mM; H2O 90%; H2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 13C-Filter NOESYsample_1isotropicsample_conditions_1

Software:

ARIA v1.2, Linge, O'Donoghue and Nilges - structure solution

VNMRJ, Varian - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Varian INOVA 700 MHz

Related Database Links:

BMRB 15783 15960 16493 16494 16502 17464
PDB
DBJ BAC29035 BAF82451 BAG35227 BAI46827
EMBL CAA32448 CAA36206 CAA42869 CAA46661 CAI29610
GB AAA37618 AAA52446 AAA52638 AAA79245 AAB29057
PRF 1605206A
REF NP_000791 NP_001127073 NP_001138364 NP_001138406 NP_001138407
SP P05230 P20002 P34004 P61148 P61149
AlphaFold P05230 P20002 P34004 P61148 P61149

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks