Structure of PDB 2fgh Chain B Binding Site BS01

Receptor Information
>2fgh Chain B (length=721) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEHPEFLKAGKEPGLQIWRVEKFDLVPVPPNLYGDFFTGDAYVILKTVQL
RNGILQYDLHYWLGNECSQDESGAAAIFTVQLDDYLNGRAVQHREVQGFE
SATFLGYFKSGLKYKKGGVASGFKHVVPNEVVVQRLLQVKGRRVVRATEV
PVSWESFNNGDCFILDLGNNIYQWCGSKSNRFERLKATQVSKGIRDNERS
GRAQVSVFEEGAEPEAMLQVLGPKPTLPEATENRKLAKLYKVSNGAGPMV
VSLVADENPFAQGALRSEDCFILDHGKDGKIFVWKGKQANMEERKAALKT
ASDFISKMDYPKQTQVSVLPEGGETPLFRQFFKNWRDPDQTEGLGLAYLS
SHIAHVERVPFDAATLHTSTAMAAQHGMDDDGTGQKQIWRVEGSNKVPVD
PATYGQFYGGDSYIILYNYRHGSRQGQIIYNWQGAQSTQDEVAASAILTA
QLDEELGGTPVQSRVVQGKEPAHLMSLFGGKPMIVYKGGTSREGGQTAPA
STRLFQVRASSSGATRAVEIIPKAGALNSNDAFVLKTPSAAYLWVGAGAS
EAEKTGAQELLRVLRAQPVQVAEGSEPDSFWEALGGKATYRTSPRLKDKK
MDAHPPRLFACSNKIGRFVIEEVPGEFMQEDLATDDVMLLDTWDQVFVWV
GKDSQDEEKTEALTSAKRYIDTDPAHRDRRTPITVVKQGFEPPSFVGWFL
GWDDSYWSVDPLDRALAELAA
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain2fgh Chain B Residue 9380 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2fgh The structure of gelsolin bound to ATP
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R363 N368 W369 R370 D371 K503 R542 R629 L630
Binding residue
(residue number reindexed from 1)		R329 N334 W335 R336 D337 K469 R508 R595 L596
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0005546 phosphatidylinositol-4,5-bisphosphate binding
GO:0046872 metal ion binding
GO:0051015 actin filament binding
Biological Process
GO:0007417 central nervous system development
GO:0008154 actin polymerization or depolymerization
GO:0030030 cell projection organization
GO:0030031 cell projection assembly
GO:0051014 actin filament severing
GO:0051016 barbed-end actin filament capping
GO:0051693 actin filament capping
GO:0060271 cilium assembly
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0015629 actin cytoskeleton

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2fgh, PDBe:2fgh, PDBj:2fgh
PDBsum2fgh
PubMed16469333
UniProtQ28372|GELS_HORSE Gelsolin (Gene Name=GSN)

[Back to BioLiP]