Structure of PDB 4l16 Chain A Binding Site BS01

Receptor Information
>4l16 Chain A (length=292) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTLKHFDENIISLIESEIMSVNNEIGWADVAGLEGAKKALREIVVLPFKR
PDVFTGIRAPPKGVLLFGPPGTGKTMIGRCVASQCKATFFNISASSLTSK
WVGEGEKLVRALFSVARLKLPSVIFIDEIDSLLSESSRRIKTEFLVQLDG
VNTAPDERLLVLGATNRPQELDEAARRRFQKRLYIALPEPESRTQIVQNL
LVGTRHDITNHNLERIRELTDGYSGADMRQLCTEAAMGPIRDIGDDIETI
DKDDIRAVTVMDFAEAARVVRPTVDDSQLDAYAAWDKKFGCL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4l16 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4l16 Structural insights into the unusually strong ATPase activity of the AAA domain of the Caenorhabditis elegans fidgetin-like 1 (FIGL-1) protein.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V318 A319 G359 T360 G361 K362 T363 G520 R524
Binding residue
(residue number reindexed from 1)		V30 A31 G71 T72 G73 K74 T75 G225 R229
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:4l16, PDBe:4l16, PDBj:4l16
PDBsum4l16
PubMed23979136
UniProtO16299|FIGL1_CAEEL Fidgetin-like protein 1 (Gene Name=figl-1)

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