BMRB Entry 18995

Title:
Structural Insights into Human S100B and Basic Fibroblast Growth Factor (FGF2) Interaction
Deposition date:
2013-02-03
Original release date:
2013-12-16
Authors:
Gupta, Arun; Yu, Chin
Citation:

Citation: Gupta, Arun; Chou, Ruey-Hwang; Li, Hongchun; Yang, Lee-Wei; Yu, Chin. "Structural insights into the interaction of human S100B and basic fibroblast growth factor (FGF2): Effects on FGFR1 receptor signaling"  Biochim. Biophys. Acta. 2013, 2606-2619 (2013).
PubMed: 24063890

Assembly members:

Assembly members:
FGF2, polymer, 126 residues, 14422.641 Da.
S100B, polymer, 182 residues, 21173.836 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET(20b)+

Data sets:
Data typeCount
13C chemical shifts250
15N chemical shifts81
1H chemical shifts81

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1FGF2_11
2S100B2
3FGF2_21

Entities:

Entity 1, FGF2_1 126 residues - 14422.641 Da.

1   ASPPROLYSARGLEUTYRCYSLYSASNGLY
2   GLYPHEPHELEUARGILEHISPROASPGLY
3   ARGVALASPGLYVALARGGLULYSSERASP
4   PROHISILELYSLEUGLNLEUGLNALAGLU
5   GLUARGGLYVALVALSERILELYSGLYVAL
6   SERALAASNARGTYRLEUALAMETLYSGLU
7   ASPGLYARGLEULEUALASERLYSSERVAL
8   THRASPGLUCYSPHEPHEPHEGLUARGLEU
9   GLUSERASNASNTYRASNTHRTYRARGSER
10   ARGLYSTYRTHRSERTRPTYRVALALALEU
11   LYSARGTHRGLYGLNTYRLYSLEUGLYSER
12   LYSTHRGLYPROGLYGLNLYSALAILELEU
13   PHELEUPROMETSERALA

Entity 2, S100B 182 residues - 21173.836 Da.

1   SERGLULEUGLULYSALAMETVALALALEU
2   ILEASPVALPHEHISGLNTYRSERGLYARG
3   GLUGLYASPLYSHISLYSLEULYSLYSSER
4   GLULEULYSGLULEUILEASNASNGLULEU
5   SERHISPHELEUGLUGLUILELYSGLUGLN
6   GLUVALVALASPLYSVALMETGLUTHRLEU
7   ASPASNASPGLYASPGLYGLUCYSASPPHE
8   GLNGLUPHEMETALAPHEVALALAMETVAL
9   THRTHRALACYSHISGLUPHEPHEGLUHIS
10   GLUSERGLULEUGLULYSALAMETVALALA
11   LEUILEASPVALPHEHISGLNTYRSERGLY
12   ARGGLUGLYASPLYSHISLYSLEULYSLYS
13   SERGLULEULYSGLULEUILEASNASNGLU
14   LEUSERHISPHELEUGLUGLUILELYSGLU
15   GLNGLUVALVALASPLYSVALMETGLUTHR
16   LEUASPASNASPGLYASPGLYGLUCYSASP
17   PHEGLNGLUPHEMETALAPHEVALALAMET
18   VALTHRTHRALACYSHISGLUPHEPHEGLU
19   HISGLU

Samples:

sample_1: S100B, [U-100% 13C; U-100% 15N], 1.2 mM; TRIS 20 mM; ammonium sulfate 50 mM; calcium chloride 5 mM; DTT 5 mM; sodium azide 0.01%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.050 M; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

VNMRJ v3.2, Varian - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

HADDOCK, Alexandre Bonvin - refinement, structure solution

NMR spectrometers:

  • Varian INOVA 700 MHz

Related Database Links:

BMRB 4091 15923 4001 4105 5206 5895
PDB
DBJ BAG70135 BAG70264 BAE22214 BAE22413 BAE36647 BAE88979 BAG74213
EMBL CCO13911 CCO13913 CAA25567 CAG46920
GB AAA31248 AAA52448 AAA52531 AAA52532 AAA52533 AAA03075 AAA42096 AAA60367 AAH01766 AAH61178
REF NP_001103711 NP_001997 XP_001099284 XP_002717284 XP_002815172 NP_001076199 NP_001247455 NP_001270589 NP_006263 NP_033141
SP P09038 P48799 Q5IS69 P04271 P04631 P50114 Q6YNR6
PRF 2003367B
AlphaFold P09038 P48799 Q5IS69 Q6YNR6 P50114 P04631 P04271

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